2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

C21H19ClN4O2 — CID 3833207

IUPAC2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNC(Cc1c[nH]c2ccccc12)c1nc(C(=O)NCc2ccc(Cl)cc2)co1
InChIInChI=1S/C21H19ClN4O2/c22-15-7-5-13(6-8-15)10-25-20(27)19-12-28-21(26-19)17(23)9-14-11-24-18-4-2-1-3-16(14)18/h1-8,11-12,17,24H,9-10,23H2,(H,25,27)
InChIKeyWLWRPOYAVFFGPP-UHFFFAOYSA-N
MW394.86 g/mol
LogP3.98
Rot. Bonds6

About 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide

2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 3833207) has the molecular formula C21H19ClN4O2 and a molecular weight of 394.86 g/mol. Its IUPAC name is 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID3833207
Molecular FormulaC21H19ClN4O2
Molecular Weight394.86 g/mol
Exact Mass394.12
IUPAC Name2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESNC(Cc1c[nH]c2ccccc12)c1nc(C(=O)NCc2ccc(Cl)cc2)co1
InChIInChI=1S/C21H19ClN4O2/c22-15-7-5-13(6-8-15)10-25-20(27)19-12-28-21(26-19)17(23)9-14-11-24-18-4-2-1-3-16(14)18/h1-8,11-12,17,24H,9-10,23H2,(H,25,27)
InChIKeyWLWRPOYAVFFGPP-UHFFFAOYSA-N
XLogP3.98
TPSA96.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.86
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(3-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3807076
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-pentadecyl-1,3-oxazole-4-carboxamide
CID 3303836
(1S)-2-(1H-indol-3-yl)-1-(4-methyl-1,3-oxazol-2-yl)ethanamine
CID 82387349
butyl 2-[[2-(1-amino-2-phenylethyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 4596844
N-[(4-chlorophenyl)methyl]-3-(1H-indol-3-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42569706
2-(1-aminopropyl)-N-(naphthalen-1-ylmethyl)-1,3-oxazole-4-carboxamide
CID 3807008
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
2-[1-amino-2-(4-hydroxyphenyl)ethyl]-N-[(3,4-difluorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 5237705
2-(1-amino-2-hydroxyethyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3833724
2-(1-aminopropyl)-N-[(3,4-dichlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3832403
N-[2-(4-chlorophenyl)ethyl]-2-(1H-indol-3-yl)acetamide
CID 2114473
ethyl 2-[[2-(1-amino-2-methylbutyl)-1,3-oxazole-4-carbonyl]amino]-3-(1H-indol-3-yl)propanoate
CID 3782207

Frequently Asked Questions

What is the IUPAC name of 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide (CID 3833207) is 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide is NC(Cc1c[nH]c2ccccc12)c1nc(C(=O)NCc2ccc(Cl)cc2)co1.
What is the InChIKey of 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is WLWRPOYAVFFGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2/c22-15-7-5-13(6-8-15)10-25-20(27)19-12-28-21(26-19)17(23)9-14-11-24-18-4-2-1-3-16(14)18/h1-8,11-12,17,24H,9-10,23H2,(H,25,27).
What are the key properties of 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide?
2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 394.86 g/mol, XLogP of 3.98, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-amino-2-(1H-indol-3-yl)ethyl]-N-[(4-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3833207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).