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

C12H11ClN2O2 — CID 121018849

IUPAC3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCc1oncc1CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O2/c1-8-10(7-15-17-8)6-14-12(16)9-3-2-4-11(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyZPYCNVFVBQPRLR-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.57
Rot. Bonds3

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

3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide (PubChem CID 121018849) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide
PubChem CID121018849
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide
SMILESCc1oncc1CNC(=O)c1cccc(Cl)c1
InChIInChI=1S/C12H11ClN2O2/c1-8-10(7-15-17-8)6-14-12(16)9-3-2-4-11(13)5-9/h2-5,7H,6H2,1H3,(H,14,16)
InChIKeyZPYCNVFVBQPRLR-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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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide (CID 121018849) is 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide is Cc1oncc1CNC(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide?
The InChIKey is ZPYCNVFVBQPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c1-8-10(7-15-17-8)6-14-12(16)9-3-2-4-11(13)5-9/h2-5,7H,6H2,1H3,(H,14,16).
What are the key properties of 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide?
3-chloro-N-[(5-methyl-1,2-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 3-chloro-N-[(5-methyl-1,2-oxazol-4-yl)methyl]benzamide is sourced from PubChem (CID 121018849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).