bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole

C89H130N8O5S3 — CID 159578770

IUPACbis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole
SMILESCC(C)C(=O)NCc1ccccc1.CC(C)C(=O)NCc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cocn1.c1cscn1
InChIInChI=1S/2C11H15NO.2C8H13N.2C7H11N.2C7H10O.2C7H10S.C6H9NO.C3H3NS/c2*1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-2-5-3-4-1/h2*3-7,9H,8H2,1-2H3,(H,12,13);2*4-7H,1-3H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;1-3H
InChIKeyMISXHUJVHRTWCC-UHFFFAOYSA-N
MW1488.27 g/mol
LogP25.98
Rot. Bonds15

About bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole

bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole (PubChem CID 159578770) has the molecular formula C89H130N8O5S3 and a molecular weight of 1488.27 g/mol. Its IUPAC name is bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole.

Molecular Properties

Compound Namebis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole
PubChem CID159578770
Molecular FormulaC89H130N8O5S3
Molecular Weight1488.27 g/mol
Exact Mass1486.93
IUPAC Namebis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole
SMILESCC(C)C(=O)NCc1ccccc1.CC(C)C(=O)NCc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cocn1.c1cscn1
InChIInChI=1S/2C11H15NO.2C8H13N.2C7H11N.2C7H10O.2C7H10S.C6H9NO.C3H3NS/c2*1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-2-5-3-4-1/h2*3-7,9H,8H2,1-2H3,(H,12,13);2*4-7H,1-3H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;1-3H
InChIKeyMISXHUJVHRTWCC-UHFFFAOYSA-N
XLogP25.98
TPSA164.84 Ų
H-Bond Donors4
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001488.27
LogP ≤ 525.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1012

Analyze bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole with MolForge

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Related Compounds

Curacozole
CID 145720670
2-[3,5-Bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-oxazole;2-(4-fluorophenyl)-5-methyl-1,3-oxazole;2-(4-fluorophenyl)-4-methyl-1,3-thiazole;2-(4-fluorophenyl)-5-methyl-1,3-thiazole;4-methyl-2-phenyl-1,3-oxazole;5-methyl-2-phenyl-1,3-oxazole;5-methyl-2-(4-phenylphenyl)-1,3-oxazole;4-methyl-2-phenyl-1,3-thiazole;5-methyl-2-phenyl-1,3-thiazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole;4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole;5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 158811429
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;(2S)-2-methylcyclopentan-1-amine;(2R)-2-methylcyclopentan-1-amine;(2S)-2-methyloxolane;(2R)-2-methyloxolane;(3S)-3-methyloxolane;(3R)-3-methyloxolane;(2S)-2-methylpyrrolidine;(2R)-2-methylpyrrolidine;(2S)-2-methylthiolane;(2R)-2-methylthiolane;(3S)-3-methylthiolane;(3R)-3-methylthiolane;2-methyl-6-(trifluoromethyl)pyridine;(3S)-3-propan-2-ylcyclopentan-1-amine;(3R)-3-propan-2-ylcyclopentan-1-amine;1-propan-2-ylpyrrolidine;(3R)-3-propan-2-ylpyrrolidine;(3S)-3-propan-2-ylpyrrolidine
CID 159211957
2-tert-butylfuran;3-tert-butylfuran;2-tert-butyl-1-methylpyrrole;3-tert-butyl-1-methylpyrrole;2-tert-butyl-1,3-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;3-tert-butyl-1H-pyrrole;2-tert-butyl-1,3-thiazole;4-tert-butyl-1,3-thiazole;5-tert-butyl-1,3-thiazole;2-tert-butylthiophene;3-tert-butylthiophene;bis((2R)-1,2-dimethylazetidine);(2S)-1,2-dimethylaziridine;ethane;(2S)-2-methylazetidine;(2R)-2-methylazetidine;(2S)-2-methylaziridine;methylcyclobutane;(2S)-2-methyloxirane;(2R)-2-methyloxirane;(2R)-1-methyl-2-propan-2-ylaziridine;2-methyl-6-(trifluoromethyl)pyridine
CID 159610527
CID 167595907
CID 167595907
2-[2-[2-[4-deuterio-2-(1,3-thiazol-4-yl)thiophen-3-yl]furan-3-yl]-1H-pyrrol-3-yl]-1,3-oxazole
CID 91496693
2-[3-(2,3-dihydroindol-1-yl)-2-(furan-2-yl)-4-piperazin-1-yl-5-(1H-pyrrol-2-yl)-2-(1,3-thiazol-2-yl)-1-thiophen-2-ylimidazolidin-4-yl]-1,3-oxazole
CID 141050957
aniline;benzenesulfonamide;ethane;furan;1H-indole;7-oxabicyclo[2.2.1]heptane;1,3-oxazole;pyridine;1H-pyrrole;1,3-thiazole
CID 157074292
1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-methyl-5-propan-2-ylthiophene;3-propan-2-ylfuran;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,2-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;3-propan-2-ylthiophene
CID 157175649
bis(tert-butylbenzene);bis(1-tert-butylcyclopenta-1,3-diene);2-tert-butylcyclopenta-1,3-diene;bis(2-tert-butylfuran);3-tert-butylfuran;1-tert-butylindole;3-tert-butyl-1H-indole;2-tert-butyl-1,3-oxazole;3-tert-butyl-1,2-oxazole;4-tert-butyl-1,3-oxazole;5-tert-butyl-1,3-oxazole;4-tert-butylpyridine;4-tert-butyl-3H-pyrrole;5-tert-butyl-2H-pyrrole;2-tert-butyl-1,3-thiazole;3-tert-butyl-1,2-thiazole;4-tert-butyl-1,3-thiazole;bis(5-tert-butyl-1,3-thiazole);2-tert-butylthiophene;3-tert-butylthiophene
CID 157219118
2,4-Ditert-butyl-4,5-dihydro-1,3-oxazole;2,4-ditert-butylfuran;2,4-ditert-butyl-1,3-oxazole;1,3-ditert-butylpyrrole;bis(1,3-ditert-butylpyrrolidine);2,4-ditert-butyl-1,3-thiazole
CID 157241775
cumene;1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;2-propan-2-yl-1,3-oxazole;4-propan-2-yl-1,3-oxazole;5-propan-2-yl-1,3-oxazole;2-propan-2-ylpyrazine;6-propan-2-ylpyridin-2-amine;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;2-propan-2-ylpyrimidine;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-yl-1,3-thiazole;4-propan-2-yl-1,3-thiazole;5-propan-2-yl-1,3-thiazole;2-propan-2-ylthiophene;3-propan-2-ylthiophene
CID 157298778

Frequently Asked Questions

What is the IUPAC name of bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole?
The IUPAC name of bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole (CID 159578770) is bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole.
What is the SMILES notation for bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole?
The canonical SMILES for bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole is CC(C)C(=O)NCc1ccccc1.CC(C)C(=O)NCc1ccccc1.CC(C)c1cc[nH]c1.CC(C)c1ccc[nH]1.CC(C)c1cccn1C.CC(C)c1ccco1.CC(C)c1cccs1.CC(C)c1ccn(C)c1.CC(C)c1ccoc1.CC(C)c1ccsc1.CC(C)c1cocn1.c1cscn1.
What is the InChIKey of bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole?
The InChIKey is MISXHUJVHRTWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H15NO.2C8H13N.2C7H11N.2C7H10O.2C7H10S.C6H9NO.C3H3NS/c2*1-9(2)11(13)12-8-10-6-4-3-5-7-10;1-7(2)8-4-5-9(3)6-8;1-7(2)8-5-4-6-9(8)3;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-6(2)7-3-4-8-5-7;1-6(2)7-4-3-5-8-7;1-5(2)6-3-8-4-7-6;1-2-5-3-4-1/h2*3-7,9H,8H2,1-2H3,(H,12,13);2*4-7H,1-3H3;2*3-6,8H,1-2H3;4*3-6H,1-2H3;3-5H,1-2H3;1-3H.
What are the key properties of bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole?
bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole has a molecular weight of 1488.27 g/mol, XLogP of 25.98, 15 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for bis(N-benzyl-2-methylpropanamide);1-methyl-2-propan-2-ylpyrrole;1-methyl-3-propan-2-ylpyrrole;2-propan-2-ylfuran;3-propan-2-ylfuran;4-propan-2-yl-1,3-oxazole;2-propan-2-yl-1H-pyrrole;3-propan-2-yl-1H-pyrrole;2-propan-2-ylthiophene;3-propan-2-ylthiophene;1,3-thiazole is sourced from PubChem (CID 159578770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).