3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

C16H17ClN2O4 — CID 129471324

IUPAC3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC[C@]1(O)CCOC1
InChIInChI=1S/C16H17ClN2O4/c1-10-13(15(20)18-8-16(21)6-7-22-9-16)14(19-23-10)11-4-2-3-5-12(11)17/h2-5,21H,6-9H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyZISQRHUBHGJKNG-MRXNPFEDSA-N
MW336.77 g/mol
LogP2.18
Rot. Bonds4

About 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide

3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 129471324) has the molecular formula C16H17ClN2O4 and a molecular weight of 336.77 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID129471324
Molecular FormulaC16H17ClN2O4
Molecular Weight336.77 g/mol
Exact Mass336.09
IUPAC Name3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2Cl)c1C(=O)NC[C@]1(O)CCOC1
InChIInChI=1S/C16H17ClN2O4/c1-10-13(15(20)18-8-16(21)6-7-22-9-16)14(19-23-10)11-4-2-3-5-12(11)17/h2-5,21H,6-9H2,1H3,(H,18,20)/t16-/m1/s1
InChIKeyZISQRHUBHGJKNG-MRXNPFEDSA-N
XLogP2.18
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.77
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-chlorophenyl)-N-[(1-hydroxycyclobutyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 111539535
3-(2-chlorophenyl)-5-methyl-N-[(4-phenylsulfanyloxan-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 72717000
2,6-dichloro-N-[(3-hydroxyoxolan-3-yl)methyl]benzamide
CID 103849383
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)-5-methyl-N-(2-morpholin-4-ylethyl)-1,2-oxazole-4-carboxamide
CID 656333
3-ethyl-N-[(3-hydroxyoxolan-3-yl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 103848731
3-(2-chlorophenyl)-N-[(3,4-dichlorophenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 1009220
N-(2-amino-2-methylpropyl)-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 119628283
3-(2-chlorophenyl)-5-methyl-N-undecyl-1,2-oxazole-4-carboxamide
CID 4127168
3-(2-chlorophenyl)-5-methyl-N-[2-(4-morpholin-4-ylphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 16889576
3-(2-chlorophenyl)-N-(2-hydroxy-2-phenylpropyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 121111972

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide (CID 129471324) is 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@]1(O)CCOC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is ZISQRHUBHGJKNG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H17ClN2O4/c1-10-13(15(20)18-8-16(21)6-7-22-9-16)14(19-23-10)11-4-2-3-5-12(11)17/h2-5,21H,6-9H2,1H3,(H,18,20)/t16-/m1/s1.
What are the key properties of 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide?
3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 336.77 g/mol, XLogP of 2.18, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-[[(3R)-3-hydroxyoxolan-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 129471324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).