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

C12H13ClN2O2 — CID 95052078

IUPAC2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCC1=NO[C@@H](CNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C12H13ClN2O2/c1-8-6-9(17-15-8)7-14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyLICLSLJSWLOLMK-SECBINFHSA-N
MW252.70 g/mol
LogP2.23
Rot. Bonds3

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

2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (PubChem CID 95052078) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.

Molecular Properties

Compound Name2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
PubChem CID95052078
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
SMILESCC1=NO[C@@H](CNC(=O)c2ccccc2Cl)C1
InChIInChI=1S/C12H13ClN2O2/c1-8-6-9(17-15-8)7-14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,14,16)/t9-/m1/s1
InChIKeyLICLSLJSWLOLMK-SECBINFHSA-N
XLogP2.23
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017144
2-fluoro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95052044
4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017197
2-chloro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 668841
N-[[3-[(4-methoxyphenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]-2-methylbenzamide
CID 45175874
2-chloro-N-[[(5S)-3,5-dimethyl-4H-1,2-oxazol-5-yl]methyl]benzamide
CID 95052080
N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 102548684
2-chloro-N-[(3-chlorocyclopentyl)methyl]benzamide
CID 106126358
2-chloro-N-[(5-methylfuran-2-yl)methyl]benzamide
CID 110731650
2-chloro-N-[(5-oxo-4-phenylmorpholin-2-yl)methyl]benzamide
CID 110366991
ethyl (5S)-5-[[[(5S)-5-[[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carbonyl]amino]methyl]-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 40783316
2-chloro-N-[(2-methyl-1,3-oxazol-4-yl)methyl]benzamide
CID 110714612

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The IUPAC name of 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide (CID 95052078) is 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide.
What is the SMILES notation for 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The canonical SMILES for 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is CC1=NO[C@@H](CNC(=O)c2ccccc2Cl)C1.
What is the InChIKey of 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
The InChIKey is LICLSLJSWLOLMK-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-6-9(17-15-8)7-14-12(16)10-4-2-3-5-11(10)13/h2-5,9H,6-7H2,1H3,(H,14,16)/t9-/m1/s1.
What are the key properties of 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide?
2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide has a molecular weight of 252.70 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[[(5R)-3-methyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide is sourced from PubChem (CID 95052078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).