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

C12H11ClN2O2 — CID 110671209

IUPAC2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
SMILESCc1ncoc1CNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O2/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyCSKFLNCBAPACGL-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.57
Rot. Bonds3

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

2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide (PubChem CID 110671209) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
PubChem CID110671209
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
SMILESCc1ncoc1CNC(=O)c1ccccc1Cl
InChIInChI=1S/C12H11ClN2O2/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyCSKFLNCBAPACGL-UHFFFAOYSA-N
XLogP2.57
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671174
2,3,4-trifluoro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671218
2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714612
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
2-chloro-N-[(1-ethylpyrazol-3-yl)methyl]benzamide
CID 19331013
2-chloro-N-(4-chlorobutyl)benzamide
CID 106845467
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
2-chloro-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzamide
CID 110319423
2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163060
2-chloro-N-[(1-methylbenzimidazol-2-yl)methyl]benzamide
CID 17007407
2,3-dichloro-N-(pyridin-2-ylmethyl)benzamide
CID 1247422
2-chloro-N-undecylbenzamide
CID 3373978

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide (CID 110671209) is 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide is Cc1ncoc1CNC(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
The InChIKey is CSKFLNCBAPACGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-11(17-7-15-8)6-14-12(16)9-4-2-3-5-10(9)13/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide?
2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide has a molecular weight of 250.69 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 110671209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).