2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide

C13H13ClFN3O2 — CID 103892535

IUPAC2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-6(11-7(2)18-20-8(11)3)17-13(19)10-4-9(15)5-16-12(10)14/h4-6H,1-3H3,(H,17,19)
InChIKeyGPROCPSTSODLLL-UHFFFAOYSA-N
MW297.72 g/mol
LogP2.97
Rot. Bonds3

About 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide

2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide (PubChem CID 103892535) has the molecular formula C13H13ClFN3O2 and a molecular weight of 297.72 g/mol. Its IUPAC name is 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide
PubChem CID103892535
Molecular FormulaC13H13ClFN3O2
Molecular Weight297.72 g/mol
Exact Mass297.07
IUPAC Name2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide
SMILESCc1noc(C)c1C(C)NC(=O)c1cc(F)cnc1Cl
InChIInChI=1S/C13H13ClFN3O2/c1-6(11-7(2)18-20-8(11)3)17-13(19)10-4-9(15)5-16-12(10)14/h4-6H,1-3H3,(H,17,19)
InChIKeyGPROCPSTSODLLL-UHFFFAOYSA-N
XLogP2.97
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.72
LogP ≤ 52.97
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

5,6-dichloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 78961181
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluorobenzamide
CID 78961269
2-chloro-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-5-fluoropyridine-3-carboxamide
CID 103891941
2-chloro-N-(3,3-dimethylbutan-2-yl)-5-fluoropyridine-3-carboxamide
CID 103892511
2-chloro-5-fluoro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 103892342
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 78961178
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802
2-amino-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]benzamide
CID 79225808
2-chloro-5-fluoro-N-methylpyridine-3-carboxamide
CID 103893144
2-bromo-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 103755407

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide (CID 103892535) is 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide is Cc1noc(C)c1C(C)NC(=O)c1cc(F)cnc1Cl.
What is the InChIKey of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide?
The InChIKey is GPROCPSTSODLLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClFN3O2/c1-6(11-7(2)18-20-8(11)3)17-13(19)10-4-9(15)5-16-12(10)14/h4-6H,1-3H3,(H,17,19).
What are the key properties of 2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide?
2-chloro-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide has a molecular weight of 297.72 g/mol, XLogP of 2.97, 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-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 103892535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).