2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide

C10H8ClN3O2 — CID 104600464

IUPAC2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccno1)c1cccnc1Cl
InChIInChI=1S/C10H8ClN3O2/c11-9-8(2-1-4-12-9)10(15)13-6-7-3-5-14-16-7/h1-5H,6H2,(H,13,15)
InChIKeyKEALZWHJNJTQDM-UHFFFAOYSA-N
MW237.65 g/mol
LogP1.65
Rot. Bonds3

About 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide

2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide (PubChem CID 104600464) 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-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
PubChem CID104600464
Molecular FormulaC10H8ClN3O2
Molecular Weight237.65 g/mol
Exact Mass237.03
IUPAC Name2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1ccno1)c1cccnc1Cl
InChIInChI=1S/C10H8ClN3O2/c11-9-8(2-1-4-12-9)10(15)13-6-7-3-5-14-16-7/h1-5H,6H2,(H,13,15)
InChIKeyKEALZWHJNJTQDM-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

N-(1,2-oxazol-5-ylmethyl)pyridine-2-carboxamide
CID 140748316
N-(1,2-oxazol-5-ylmethyl)-2-sulfanylbenzamide
CID 106423406
2-(methylamino)-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 106420098
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-chloro-5-nitro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide
CID 114185998
2-fluoro-3-methyl-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600341
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-4-carboxamide
CID 103939725
3-chloro-2-nitro-N-(1,2-oxazol-5-ylmethyl)benzamide
CID 104600434
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(1,2,4-oxadiazol-3-ylmethyl)pyridine-3-carboxamide
CID 106396006
2-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 63306526
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 4244473

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide (CID 104600464) is 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide is O=C(NCc1ccno1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
The InChIKey is KEALZWHJNJTQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3O2/c11-9-8(2-1-4-12-9)10(15)13-6-7-3-5-14-16-7/h1-5H,6H2,(H,13,15).
What are the key properties of 2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-carboxamide?
2-chloro-N-(1,2-oxazol-5-ylmethyl)pyridine-3-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-3-carboxamide is sourced from PubChem (CID 104600464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).