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

C12H13ClN2O2 — CID 53017197

IUPAC4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESCC1=NOC(CNC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H13ClN2O2/c1-8-6-11(17-15-8)7-14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,16)
InChIKeyYCFFBQYFNPUFEN-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.23
Rot. Bonds3

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

4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (PubChem CID 53017197) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
PubChem CID53017197
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
SMILESCC1=NOC(CNC(=O)c2ccc(Cl)cc2)C1
InChIInChI=1S/C12H13ClN2O2/c1-8-6-11(17-15-8)7-14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,16)
InChIKeyYCFFBQYFNPUFEN-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The IUPAC name of 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide (CID 53017197) is 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide.
What is the SMILES notation for 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The canonical SMILES for 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is CC1=NOC(CNC(=O)c2ccc(Cl)cc2)C1.
What is the InChIKey of 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
The InChIKey is YCFFBQYFNPUFEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-6-11(17-15-8)7-14-12(16)9-2-4-10(13)5-3-9/h2-5,11H,6-7H2,1H3,(H,14,16).
What are the key properties of 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide?
4-chloro-N-[(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 4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide is sourced from PubChem (CID 53017197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).