ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine

C72H103N11O2 — CID 157093777

IUPACethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
SMILESCC.CC.CC.CC.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2c(N)ncnc2c1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1cnc2c(N)noc2c1
InChIInChI=1S/C12H14N2.C12H14.C11H13N3.C10H12N2O.C10H15N.C9H11N3O.4C2H6/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-10(5-8)13-6-14-11(9)12;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)6-3-7-8(11-4-6)9(10)12-13-7;4*1-2/h3-9H,1-2H3,(H,13,14);3,5-9H,4H2,1-2H3;3-7H,1-2H3,(H2,12,13,14);3-6H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,10,12);4*1-2H3
InChIKeyAEYSCRRGGGIKEP-UHFFFAOYSA-N
MW1154.69 g/mol
LogP19.75
Rot. Bonds8

About ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine

ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine (PubChem CID 157093777) has the molecular formula C72H103N11O2 and a molecular weight of 1154.69 g/mol. Its IUPAC name is ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine.

Molecular Properties

Compound Nameethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
PubChem CID157093777
Molecular FormulaC72H103N11O2
Molecular Weight1154.69 g/mol
Exact Mass1153.83
IUPAC Nameethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
SMILESCC.CC.CC.CC.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2c(N)ncnc2c1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1cnc2c(N)noc2c1
InChIInChI=1S/C12H14N2.C12H14.C11H13N3.C10H12N2O.C10H15N.C9H11N3O.4C2H6/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-10(5-8)13-6-14-11(9)12;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)6-3-7-8(11-4-6)9(10)12-13-7;4*1-2/h3-9H,1-2H3,(H,13,14);3,5-9H,4H2,1-2H3;3-7H,1-2H3,(H2,12,13,14);3-6H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,10,12);4*1-2H3
InChIKeyAEYSCRRGGGIKEP-UHFFFAOYSA-N
XLogP19.75
TPSA223.49 Ų
H-Bond Donors5
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001154.69
LogP ≤ 519.75
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1012

Analyze ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine with MolForge

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Related Compounds

7-(2-Cinnolin-3-ylethynyl)-3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-(2-phthalazin-6-ylethynyl)-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-(2-quinazolin-7-ylethynyl)-1,2-benzoxazole
CID 157948128
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-indazol-2-ium-6-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[4,5-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[5,4-b]pyridin-5-yl)ethynyl]-1,2-benzoxazole
CID 159297897
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,5-a]pyridin-6-ylethynyl)-6-methyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(1H-pyrazolo[3,4-c]pyridin-5-yl)ethynyl]-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-methyl-7-[2-(tetrazolo[1,5-a]pyridin-6-yl)ethynyl]-1,2-benzoxazole
CID 159630690
3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-phenyl-1,2-benzoxazole;3-[[3-(1,1-difluoroethyl)phenyl]methyl]-7-[2-(1H-indazol-5-yl)ethynyl]-6-methyl-1,2-benzoxazole;7-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-6-methyl-3-[(3-phenylphenyl)methyl]-1,2-benzoxazole
CID 161401904
3-[4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-6-pyridin-2-yl-1-quinolin-2-yl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinolin-3-yl]-1,2-benzoxazole
CID 141151178
5,6-Ditert-butyl-1,2-benzoxazole;5,6-ditert-butyl-[1,2]oxazolo[4,5-b]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-a]pyridine;6,7-ditert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
CID 157292526
benzene;1,2-benzoxazole;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-indazole;indolizine;isoquinoline;1,7-naphthyridine;phthalazine;pyrazolo[1,5-a]pyridine;pyridine;quinazoline;quinoline
CID 157566423
3-propan-2-yl-1,2-benzoxazole;3-propan-2-yl-2H-indazole;1-propan-2-ylisoquinoline;5-propan-2-yl-1H-pyrazole;2-propan-2-ylpyridine;2-propan-2-ylpyrimidine
CID 157640980
4-methyl-6-propan-2-yl-1,2-benzoxazol-3-amine;(2-methyl-4-propan-2-ylphenyl)methanamine;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine
CID 157757404
7-tert-butyl-1,2-benzothiazol-3-amine;7-tert-butyl-1,2-benzoxazol-3-amine;7-tert-butyl-1H-indazol-3-amine;5-tert-butylisoquinolin-1-amine;3-tert-butyl-N'-methanidylbenzene-2-ide-1-carboximidamide;5-tert-butyl-2,6-naphthyridin-1-amine;7-tert-butyl-[1,2]oxazolo[5,4-c]pyridin-3-amine;7-tert-butyl-1H-pyrazolo[5,4-c]pyridin-3-amine;8-tert-butylpyrido[3,4-d]pyrimidin-4-amine;8-tert-butylquinazolin-4-amine;7-tert-butyl-[1,2]thiazolo[5,4-c]pyridin-3-amine;ethane;yttrium
CID 157924351
1,2-benzoxazol-3-amine;1-cyclopropylindazole;2-methylbenzotriazole;1-methyl-2H-indazol-3-one;3-methyl-2H-pyrazolo[3,4-b]pyridine;6-methylquinazoline;1-pyridin-2-ylpropan-1-one
CID 158016537
1,2-benzoxazole;imidazo[1,5-a]pyridine;1H-indazole;indolizine;isoquinoline;1,7-naphthyridine;pyrazolo[1,5-a]pyridine;pyridine;quinazoline
CID 158040053

Frequently Asked Questions

What is the IUPAC name of ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine?
The IUPAC name of ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine (CID 157093777) is ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine.
What is the SMILES notation for ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine?
The canonical SMILES for ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine is CC.CC.CC.CC.CC(C)c1ccc(-c2ccn[nH]2)cc1.CC(C)c1ccc(CN)cc1.CC(C)c1ccc2c(N)ncnc2c1.CC(C)c1ccc2c(N)noc2c1.CC(C)c1ccc2c(c1)C=CC2.CC(C)c1cnc2c(N)noc2c1.
What is the InChIKey of ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine?
The InChIKey is AEYSCRRGGGIKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2.C12H14.C11H13N3.C10H12N2O.C10H15N.C9H11N3O.4C2H6/c1-9(2)10-3-5-11(6-4-10)12-7-8-13-14-12;1-9(2)11-7-6-10-4-3-5-12(10)8-11;1-7(2)8-3-4-9-10(5-8)13-6-14-11(9)12;1-6(2)7-3-4-8-9(5-7)13-12-10(8)11;1-8(2)10-5-3-9(7-11)4-6-10;1-5(2)6-3-7-8(11-4-6)9(10)12-13-7;4*1-2/h3-9H,1-2H3,(H,13,14);3,5-9H,4H2,1-2H3;3-7H,1-2H3,(H2,12,13,14);3-6H,1-2H3,(H2,11,12);3-6,8H,7,11H2,1-2H3;3-5H,1-2H3,(H2,10,12);4*1-2H3.
What are the key properties of ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine?
ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine has a molecular weight of 1154.69 g/mol, XLogP of 19.75, 8 rotatable bonds, 5 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-propan-2-yl-1,2-benzoxazol-3-amine;5-propan-2-yl-1H-indene;6-propan-2-yl-[1,2]oxazolo[4,5-b]pyridin-3-amine;(4-propan-2-ylphenyl)methanamine;5-(4-propan-2-ylphenyl)-1H-pyrazole;7-propan-2-ylquinazolin-4-amine is sourced from PubChem (CID 157093777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).