N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide

C11H9ClN2O2 — CID 114299970

IUPACN-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(CCl)cc1)c1ccon1
InChIInChI=1S/C11H9ClN2O2/c12-7-8-1-3-9(4-2-8)13-11(15)10-5-6-16-14-10/h1-6H,7H2,(H,13,15)
InChIKeyGPOBSWNLFNSJKQ-UHFFFAOYSA-N
MW236.66 g/mol
LogP2.67
Rot. Bonds3

About N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide

N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide (PubChem CID 114299970) has the molecular formula C11H9ClN2O2 and a molecular weight of 236.66 g/mol. Its IUPAC name is N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide
PubChem CID114299970
Molecular FormulaC11H9ClN2O2
Molecular Weight236.66 g/mol
Exact Mass236.04
IUPAC NameN-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1ccc(CCl)cc1)c1ccon1
InChIInChI=1S/C11H9ClN2O2/c12-7-8-1-3-9(4-2-8)13-11(15)10-5-6-16-14-10/h1-6H,7H2,(H,13,15)
InChIKeyGPOBSWNLFNSJKQ-UHFFFAOYSA-N
XLogP2.67
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.66
LogP ≤ 52.67
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

2-[4-(1,2-oxazole-3-carbonylamino)phenoxy]acetic acid
CID 63745197
N-(chloromethyl)-1,2-oxazole-3-carboxamide
CID 91516447
N-(6-bromo-3-pyridinyl)-1,2-oxazole-3-carboxamide
CID 103789487
1-[4-(1,2-oxazole-3-carbonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 115912936
N-(4-bromo-3-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 65430131
4-(chloromethyl)-N-(4-chlorophenyl)benzamide
CID 43333316
4-[[4-(chloromethyl)benzoyl]amino]benzoic acid
CID 61251560
5-(1,2-oxazole-3-carbonylamino)pyridine-3-carboxylic acid
CID 63154305
N-(3-chloro-2,2-dimethylpropyl)-1,2-oxazole-3-carboxamide
CID 115364627
N-(4-chlorobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 83187340
N-[4-(3-aminoprop-1-ynyl)-3-fluorophenyl]-1,2-oxazole-3-carboxamide
CID 65435499
1-[4-(chloromethyl)phenyl]-3-phenylurea
CID 15895595

Frequently Asked Questions

What is the IUPAC name of N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide (CID 114299970) is N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide is O=C(Nc1ccc(CCl)cc1)c1ccon1.
What is the InChIKey of N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide?
The InChIKey is GPOBSWNLFNSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN2O2/c12-7-8-1-3-9(4-2-8)13-11(15)10-5-6-16-14-10/h1-6H,7H2,(H,13,15).
What are the key properties of N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide?
N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide has a molecular weight of 236.66 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(chloromethyl)phenyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 114299970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).