N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide

C12H11ClN2O2 — CID 1484414

IUPACN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H11ClN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeySJCRBKORSQPVMS-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.63
Rot. Bonds3

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

N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 1484414) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID1484414
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC NameN-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1cc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C12H11ClN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16)
InChIKeySJCRBKORSQPVMS-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide (CID 1484414) is N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NCc1cc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is SJCRBKORSQPVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8(16)14-7-11-6-12(15-17-11)9-2-4-10(13)5-3-9/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide?
N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 250.69 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 1484414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).