3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide

C12H11ClN2O2 — CID 81170534

IUPAC3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1cccc(CCl)c1
InChIInChI=1S/C12H11ClN2O2/c13-7-9-2-1-3-10(6-9)12(16)14-8-11-4-5-17-15-11/h1-6H,7-8H2,(H,14,16)
InChIKeyDJEYVJSAMRFWJQ-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.34
Rot. Bonds4

About 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide

3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide (PubChem CID 81170534) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide
PubChem CID81170534
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide
SMILESO=C(NCc1ccon1)c1cccc(CCl)c1
InChIInChI=1S/C12H11ClN2O2/c13-7-9-2-1-3-10(6-9)12(16)14-8-11-4-5-17-15-11/h1-6H,7-8H2,(H,14,16)
InChIKeyDJEYVJSAMRFWJQ-UHFFFAOYSA-N
XLogP2.34
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-chloro-4-hydroxy-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79492078
N-[(5-bromothiophen-2-yl)methyl]-3-(chloromethyl)benzamide
CID 54900304
3-bromo-4-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 103842110
3-hydroxy-4-iodo-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 104629295
4-fluoro-3-methyl-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 79487393
N-(1,2-oxazol-3-ylmethyl)-3-(1H-pyrazol-5-ylmethylsulfamoyl)benzamide
CID 77089657
2-amino-3-chloro-N-(1,2-oxazol-3-ylmethyl)benzamide
CID 113331820
N-(1,3-benzodioxol-4-ylmethyl)-3-(chloromethyl)benzamide
CID 61210778
3-(chloromethyl)-N-(2-methylprop-2-enyl)benzamide
CID 114615983
(E)-3-[4-(1,2-oxazol-3-ylmethylcarbamoyl)thiophen-2-yl]prop-2-enoic acid
CID 81178535
3-(1,2-oxazol-3-ylmethylcarbamoylamino)benzoic acid
CID 81177747
3-(chloromethyl)-N-[(2-methoxyphenyl)methyl]benzamide
CID 43333393

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide?
The IUPAC name of 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide (CID 81170534) is 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide.
What is the SMILES notation for 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide?
The canonical SMILES for 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide is O=C(NCc1ccon1)c1cccc(CCl)c1.
What is the InChIKey of 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide?
The InChIKey is DJEYVJSAMRFWJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-7-9-2-1-3-10(6-9)12(16)14-8-11-4-5-17-15-11/h1-6H,7-8H2,(H,14,16).
What are the key properties of 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide?
3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide has a molecular weight of 250.69 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-N-(1,2-oxazol-3-ylmethyl)benzamide is sourced from PubChem (CID 81170534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).