3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

C22H20ClN3O2 — CID 3662031

IUPAC3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H20ClN3O2/c1-13(11-15-12-24-19-10-6-4-7-16(15)19)25-22(27)20-14(2)28-26-21(20)17-8-3-5-9-18(17)23/h3-10,12-13,24H,11H2,1-2H3,(H,25,27)
InChIKeyQWTTWVKFSFXKMG-UHFFFAOYSA-N
MW393.87 g/mol
LogP5.15
Rot. Bonds5

About 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 3662031) has the molecular formula C22H20ClN3O2 and a molecular weight of 393.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID3662031
Molecular FormulaC22H20ClN3O2
Molecular Weight393.87 g/mol
Exact Mass393.12
IUPAC Name3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC(C)Cc1c[nH]c2ccccc12
InChIInChI=1S/C22H20ClN3O2/c1-13(11-15-12-24-19-10-6-4-7-16(15)19)25-22(27)20-14(2)28-26-21(20)17-8-3-5-9-18(17)23/h3-10,12-13,24H,11H2,1-2H3,(H,25,27)
InChIKeyQWTTWVKFSFXKMG-UHFFFAOYSA-N
XLogP5.15
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.87
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chlorophenyl)-N-[(2S)-1-methoxypropan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide
CID 884674
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CID 3677874
N-[(2S)-1-(1H-indol-3-yl)propan-2-yl]-3-phenyl-1,2,4-oxadiazole-5-carboxamide
CID 41091001
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
2-chloro-N-[(2R)-1-(1H-indol-3-yl)propan-2-yl]acetamide
CID 1162947
N-[(2R)-butan-2-yl]-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
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3-(2-chlorophenyl)-N-(2-hydroxyphenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 2996672
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
3-(2,6-dichlorophenyl)-5-methyl-N-pentan-2-yl-1,2-oxazole-4-carboxamide
CID 2886297
N-[2-(1H-indol-3-yl)ethyl]-5-methyl-3-pyridin-2-yl-1,2-oxazole-4-carboxamide
CID 53001884
N-(2-amino-1-cyclohexylethyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide (CID 3662031) is 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC(C)Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is QWTTWVKFSFXKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O2/c1-13(11-15-12-24-19-10-6-4-7-16(15)19)25-22(27)20-14(2)28-26-21(20)17-8-3-5-9-18(17)23/h3-10,12-13,24H,11H2,1-2H3,(H,25,27).
What are the key properties of 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 393.87 g/mol, XLogP of 5.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[1-(1H-indol-3-yl)propan-2-yl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 3662031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).