1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

C249H318N22O — CID 158009537

IUPAC1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCCC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cncc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1
InChIInChI=1S/4C13H14.2C12H13N.7C9H7N.4C8H6N2.C7H10N2.C7H6N2.C7H5NO.C5H12.13C4H10/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;4*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;13*1-4(2)3/h4*3-10H,1-2H3;2*3-9H,1-2H3;7*1-7H;4*1-6H;4-5H,1-3,6H2;1-6H;1-5H;1-4H3;13*4H,1-3H3
InChIKeyFESCZSNARIMLAZ-UHFFFAOYSA-N
MW3635.44 g/mol
LogP72.78
Rot. Bonds6

About 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine

1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (PubChem CID 158009537) has the molecular formula C249H318N22O and a molecular weight of 3635.44 g/mol. Its IUPAC name is 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
PubChem CID158009537
Molecular FormulaC249H318N22O
Molecular Weight3635.44 g/mol
Exact Mass3632.55
IUPAC Name1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine
SMILESCC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCCC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cncc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1
InChIInChI=1S/4C13H14.2C12H13N.7C9H7N.4C8H6N2.C7H10N2.C7H6N2.C7H5NO.C5H12.13C4H10/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;4*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;13*1-4(2)3/h4*3-10H,1-2H3;2*3-9H,1-2H3;7*1-7H;4*1-6H;4-5H,1-3,6H2;1-6H;1-5H;1-4H3;13*4H,1-3H3
InChIKeyFESCZSNARIMLAZ-UHFFFAOYSA-N
XLogP72.78
TPSA280.28 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds6
Heavy Atoms272
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003635.44
LogP ≤ 572.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Analyze 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine with MolForge

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Related Compounds

[2-[4-[[2-[(1,3-Benzoxazol-2-ylamino)methyl]-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-4-methylphenyl]-[2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]methanone
CID 123179954
2-[5-[8-(2-amino-1,3-benzoxazol-6-yl)-[1,2,4]triazolo[4,3-a]quinoxalin-1-yl]-2-pyridinyl]-3-[1-[4-(2-cyanopropan-2-yl)phenyl]-8-[(4E)-5-fluoro-6-iminodeca-2,4-dien-3-yl]-[1,2,4]triazolo[4,3-a]quinoxalin-6-yl]-2-methylpropanenitrile
CID 123899169
2-[[2-[[4-(1,3-Benzoxazol-2-yl)piperazin-1-yl]methyl]phenyl]methyl]-7-fluoroimidazo[1,2-c]quinazolin-5-amine
CID 138689278
[2-[4-[[(2S,3S)-2-[(1,3-benzoxazol-2-ylamino)methyl]-1-[3-methyl-2-(triazol-2-yl)benzoyl]piperidin-3-yl]methyl]pyrimidin-2-yl]-4-methylphenyl]-[(2S,3R)-2-[[(6-fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]methanone
CID 144903062
CID 157119212
CID 157119212
4-[4-[3,5-Bis[4-(trifluoromethoxy)phenyl]phenyl]phenyl]-2,5,6-trimethylpyrimidine;2,4,5-trimethyl-6-[3-(5-methyl-2-pyridinyl)-5-phenanthren-9-ylphenyl]pyrimidine;5-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]-1,10-phenanthroline;2-[4-[4-(2,5,6-trimethylpyrimidin-4-yl)phenyl]phenyl]-1,3-benzoxazole
CID 157544793
2-chloro-6-fluoro-3-propan-2-ylpyridine;2-(1,1-dideuterioethyl)-5-propan-2-ylisoquinolin-1-one;2-(difluoromethyl)-5-propan-2-ylisoquinolin-1-one;2,5-di(propan-2-yl)isoquinolin-1-one;2-ethyl-5-propan-2-ylisoquinolin-1-one;2-(2-fluoropropyl)-5-propan-2-ylisoquinolin-1-one;6-methoxy-2-methyl-3-propan-2-ylpyridine;1-methyl-2-methylidene-5-propan-2-ylquinoline;1-methyl-7-propan-2-ylbenzimidazole;2-methyl-5-propan-2-yl-3,4-dihydroisoquinolin-1-one;2-methyl-5-propan-2-ylisoquinolin-1-one;4-methyl-5-propan-2-yl-1,3-oxazole;1-methyl-5-propan-2-ylpyrazole;3-methyl-8-propan-2-ylquinazolin-4-one;5-propan-2-yl-3,4-dihydro-2H-naphthalen-1-one;5-propan-2-yl-2H-naphthalen-1-one;5-propan-2-yl-2-(2,2,2-trifluoroethyl)-3,4-dihydroisoquinolin-1-one
CID 160252553
1-(3,3-dimethylbut-1-ynyl)cyclohexene;4-(3,3-dimethylbut-1-ynyl)-1,2-difluorobenzene;1-(3,3-dimethylbut-1-ynyl)-3-(trifluoromethyl)benzene;5,5-dimethylhex-2-ynylbenzene;6-(5,5-dimethylhex-2-ynyl)-1,3-benzoxazole;7-(5,5-dimethylhex-2-ynyl)cinnoline;5-(5,5-dimethylhex-2-ynyl)-2H-isoindole;4-(5,5-dimethylhex-2-ynyl)pyridazine;2-(5,5-dimethylhex-2-ynyl)pyridine;3-(5,5-dimethylhex-2-ynyl)pyridine;4-(5,5-dimethylhex-2-ynyl)pyridine;2-(5,5-dimethylhex-2-ynyl)pyrimidine;4-(5,5-dimethylhex-2-ynyl)pyrimidine;6-(5,5-dimethylhex-2-ynyl)quinoline;6-(5,5-dimethylhex-2-ynyl)quinoxaline;4-(5,5-dimethylhex-2-ynyl)-1,2-thiazole
CID 160870661
CID 161018936
CID 161018936
2,3-dimethyl-6-propan-2-ylpyridine;2,3-dimethyl-6-propan-2-ylquinoxaline;6-fluoro-7-propan-2-ylquinoxaline;2-methoxy-5-propan-2-ylpyridine;3-methylidene-7-propan-2-yl-2,4-dihydro-1H-naphthalene;2-methyl-6-propan-2-yl-3,4-dihydrophthalazin-1-one;3-methyl-6-propan-2-ylimidazo[1,2-b]pyridazine;tris(5-methyl-2-propan-2-ylpyridine);2-methyl-6-propan-2-ylquinazoline;2-methyl-7-propan-2-yl-3H-quinazolin-4-one;2-methyl-7-propan-2-ylquinoxaline;5-propan-2-ylpyridine-2-carbonitrile;5-(5-propan-2-yl-2-pyridinyl)-1,3-oxazole;6-propan-2-ylpyrido[2,3-b]pyrazine;7-propan-2-ylpyrido[2,3-b]pyrazine;6-propan-2-ylquinazoline;7-propan-2-yl-3H-quinazolin-4-one;2-propan-2-ylquinoline;6-propan-2-ylquinoxaline;6-propan-2-yl-2-(trifluoromethyl)imidazo[1,2-b]pyridazine
CID 167600102
2-[11-[4-[5-[11-(1,3-Benzoxazol-2-yl)-12-[4,6-bis(4-fluorophenyl)-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-4-yl]-2-pyridinyl]-6-pyridin-3-yl-1,3,5-triazin-2-yl]indolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 169924683
2-[4-(9,14,21-Triazapentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(21),2(7),3,5,8(13),9,11,15,17,19-decaen-5-yl)phenyl]-1,3-benzoxazole
CID 58037813

Frequently Asked Questions

What is the IUPAC name of 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The IUPAC name of 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine (CID 158009537) is 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine.
What is the SMILES notation for 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The canonical SMILES for 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is CC(C)(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)c1cc2ccccc2cn1.CC(C)c1cc2ccccc2cn1.CC(C)c1ccc2ccccc2c1.CC(C)c1ccc2ccccc2c1.CC(C)c1cccc2ccccc12.CC(C)c1cccc2ccccc12.c1cc2n(n1)CCCC2.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2ncccc2c1.c1ccc2nccnc2c1.c1ccc2ocnc2c1.c1ccn2cncc2c1.c1cnc2cccnc2c1.c1cnc2ccncc2c1.c1cnc2ncccc2c1.
What is the InChIKey of 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
The InChIKey is FESCZSNARIMLAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/4C13H14.2C12H13N.7C9H7N.4C8H6N2.C7H10N2.C7H6N2.C7H5NO.C5H12.13C4H10/c2*1-10(2)12-9-5-7-11-6-3-4-8-13(11)12;2*1-10(2)12-8-7-11-5-3-4-6-13(11)9-12;2*1-9(2)12-7-10-5-3-4-6-11(10)8-13-12;4*1-2-6-9-8(4-1)5-3-7-10-9;3*1-2-4-9-7-10-6-5-8(9)3-1;1-3-7-8(9-5-1)4-2-6-10-7;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-5-3-8(7)10-4-1;1-2-4-8-7(3-1)9-5-6-10-8;1-2-6-9-7(3-1)4-5-8-9;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-5(2,3)4;13*1-4(2)3/h4*3-10H,1-2H3;2*3-9H,1-2H3;7*1-7H;4*1-6H;4-5H,1-3,6H2;1-6H;1-5H;1-4H3;13*4H,1-3H3.
What are the key properties of 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine?
1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine has a molecular weight of 3635.44 g/mol, XLogP of 72.78, 6 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzoxazole;2,2-dimethylpropane;imidazo[1,5-a]pyridine;isoquinoline;tridecakis(2-methylpropane);1,5-naphthyridine;1,6-naphthyridine;1,8-naphthyridine;bis(3-propan-2-ylisoquinoline);bis(1-propan-2-ylnaphthalene);bis(2-propan-2-ylnaphthalene);quinoline;quinoxaline;4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine is sourced from PubChem (CID 158009537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).