2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide

C13H15ClN2O2 — CID 95052080

IUPAC2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide
SMILESCC1=NO[C@](C)(CNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H15ClN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-5-3-4-6-11(10)14/h3-6H,7-8H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyFPURCYLPOKRELY-ZDUSSCGKSA-N
MW266.73 g/mol
LogP2.62
Rot. Bonds3

About 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide

2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 95052080) has the molecular formula C13H15ClN2O2 and a molecular weight of 266.73 g/mol. Its IUPAC name is 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID95052080
Molecular FormulaC13H15ClN2O2
Molecular Weight266.73 g/mol
Exact Mass266.08
IUPAC Name2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide
SMILESCC1=NO[C@](C)(CNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C13H15ClN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-5-3-4-6-11(10)14/h3-6H,7-8H2,1-2H3,(H,15,17)/t13-/m0/s1
InChIKeyFPURCYLPOKRELY-ZDUSSCGKSA-N
XLogP2.62
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-2,5-dimethylbenzamide
CID 53017164
N-[[(5R)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
CID 95052037
N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-3-fluorobenzamide
CID 95052038
N-[(3,5-dimethyl-4H-1,2-oxazol-5-yl)methyl]-4-fluorobenzamide
CID 53017138
2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052078
N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 95135631
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
2-chloro-N-[(1-phenylcyclopentyl)methyl]benzamide
CID 847347
2-chloro-N-[[(1R,5S)-5-[(2-chlorobenzoyl)amino]-1,3,3-trimethylcyclohexyl]methyl]benzamide
CID 40738067
1-[[(2-chlorobenzoyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440820
2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714612
(3,5-dimethyl-4H-1,2-oxazol-5-yl)methanol
CID 22121131

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide (CID 95052080) is 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide is CC1=NO[C@](C)(CNC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is FPURCYLPOKRELY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H15ClN2O2/c1-9-7-13(2,18-16-9)8-15-12(17)10-5-3-4-6-11(10)14/h3-6H,7-8H2,1-2H3,(H,15,17)/t13-/m0/s1.
What are the key properties of 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide?
2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 266.73 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 95052080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).