3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide

C20H19ClN2O3 — CID 121111972

IUPAC3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-13-17(18(23-26-13)15-10-6-7-11-16(15)21)19(24)22-12-20(2,25)14-8-4-3-5-9-14/h3-11,25H,12H2,1-2H3,(H,22,24)
InChIKeyIZHWSQCDRQHVJF-UHFFFAOYSA-N
MW370.84 g/mol
LogP3.94
Rot. Bonds5

About 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 121111972) has the molecular formula C20H19ClN2O3 and a molecular weight of 370.84 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID121111972
Molecular FormulaC20H19ClN2O3
Molecular Weight370.84 g/mol
Exact Mass370.11
IUPAC Name3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NCC(C)(O)c1ccccc1
InChIInChI=1S/C20H19ClN2O3/c1-13-17(18(23-26-13)15-10-6-7-11-16(15)21)19(24)22-12-20(2,25)14-8-4-3-5-9-14/h3-11,25H,12H2,1-2H3,(H,22,24)
InChIKeyIZHWSQCDRQHVJF-UHFFFAOYSA-N
XLogP3.94
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
N-[(2S)-2-(1-benzothiophen-2-yl)-2-hydroxypropyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 99980124
N-(2-amino-2-ethylbutyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119641872
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
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
3-(2-chlorophenyl)-N-[(2S)-2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 124891742
3-(2-chlorophenyl)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
3-(2-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 111539535
N-(3-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide;hydrochloride
CID 119998048
3-(2-chlorophenyl)-5-methyl-N-(naphthalen-1-ylmethyl)-1,2-oxazole-4-carboxamide
CID 112817008

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide (CID 121111972) is 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NCC(C)(O)c1ccccc1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is IZHWSQCDRQHVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O3/c1-13-17(18(23-26-13)15-10-6-7-11-16(15)21)19(24)22-12-20(2,25)14-8-4-3-5-9-14/h3-11,25H,12H2,1-2H3,(H,22,24).
What are the key properties of 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 370.84 g/mol, XLogP of 3.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 121111972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).