2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide

C10H8ClN3O2 — CID 103939725

IUPAC2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccno1)c1ccnc(Cl)c1
InChIInChI=1S/C10H8ClN3O2/c11-9-5-7(1-3-12-9)10(15)13-6-8-2-4-14-16-8/h1-5H,6H2,(H,13,15)
InChIKeyXDDNGNKNYNSNNK-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.65
Rot. Bonds3

About 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide

2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide (PubChem CID 103939725) has the molecular formula C10H8ClN3O2 and a molecular weight of 237.65 g/mol. Its IUPAC name is 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
PubChem CID103939725
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
SMILESO=C(NCc1ccno1)c1ccnc(Cl)c1
InChIInChI=1S/C10H8ClN3O2/c11-9-5-7(1-3-12-9)10(15)13-6-8-2-4-14-16-8/h1-5H,6H2,(H,13,15)
InChIKeyXDDNGNKNYNSNNK-UHFFFAOYSA-N
XLogP1.65
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 106422085
2-chloro-N-(1,2-oxazol-5-ylmethyl)-6-propylpyridine-4-carboxamide
CID 106415797
N-(1,2-oxazol-5-ylmethyl)-2-phenylmethoxypyridine-4-carboxamide
CID 122141693
4-amino-3-fluoro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413498
3-amino-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106413441
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 104600464
4-(1,2-oxazol-5-ylmethylcarbamoyl)benzoic acid
CID 106422079
4-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 103939745
2-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-4-carboxamide
CID 103743995
N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
4-carbamothioyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 114186280
5-(1,2-oxazol-5-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 114186827

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide (CID 103939725) is 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide is O=C(NCc1ccno1)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide?
The InChIKey is XDDNGNKNYNSNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-9-5-7(1-3-12-9)10(15)13-6-8-2-4-14-16-8/h1-5H,6H2,(H,13,15).
What are the key properties of 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide?
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide has a molecular weight of 237.65 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 103939725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).