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

C12H11ClN2O2 — CID 110714612

IUPAC2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccccc2Cl)co1
InChIInChI=1S/C12H11ClN2O2/c1-8-15-9(7-17-8)6-14-12(16)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyGNJPIVPBWYKUKM-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.57
Rot. Bonds3

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

2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide (PubChem CID 110714612) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
PubChem CID110714612
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
SMILESCc1nc(CNC(=O)c2ccccc2Cl)co1
InChIInChI=1S/C12H11ClN2O2/c1-8-15-9(7-17-8)6-14-12(16)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyGNJPIVPBWYKUKM-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-chloro-N-[(4-methyl-1,3-oxazol-5-yl)methyl]benzamide
CID 110671209
2-fluoro-N-[2-(2-methyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 110718546
2-chloro-N-[[2-(dimethylamino)-6-methylpyrimidin-4-yl]methyl]benzamide
CID 91967581
3,4-dimethyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714591
2-chloro-N-[(2,6-dimethylimidazo[2,1-b][1,3,4]thiadiazol-5-yl)methyl]benzamide
CID 53163060
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-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]benzamide
CID 72718377
3,4-dimethoxy-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714594
2-chloro-N-[[4-(diethylaminomethyl)-1,3-thiazol-2-yl]methyl]benzamide
CID 110359527
2-chloro-N-[3-(4-methyl-1,3-thiazol-2-yl)propyl]benzamide
CID 110441971
N-(2-amino-2-methylpropyl)-2-chlorobenzamide;hydrochloride
CID 119630194

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide (CID 110714612) is 2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide is Cc1nc(CNC(=O)c2ccccc2Cl)co1.
What is the InChIKey of 2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide?
The InChIKey is GNJPIVPBWYKUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-15-9(7-17-8)6-14-12(16)10-4-2-3-5-11(10)13/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of 2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide?
2-chloro-N-[(2-methyl-1,3-oxazol-4-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-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 110714612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).