N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C13H8ClN3O2S — CID 3337765

IUPACN-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H8ClN3O2S/c14-12-8(3-1-5-15-12)16-13(18)9-7-10(19-17-9)11-4-2-6-20-11/h1-7H,(H,16,18)
InChIKeyIHGUDQDSYDNPIL-UHFFFAOYSA-N
MW305.75 g/mol
LogP3.70
Rot. Bonds3

About N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3337765) has the molecular formula C13H8ClN3O2S and a molecular weight of 305.75 g/mol. Its IUPAC name is N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3337765
Molecular FormulaC13H8ClN3O2S
Molecular Weight305.75 g/mol
Exact Mass305.00
IUPAC NameN-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cccnc1Cl)c1cc(-c2cccs2)on1
InChIInChI=1S/C13H8ClN3O2S/c14-12-8(3-1-5-15-12)16-13(18)9-7-10(19-17-9)11-4-2-6-20-11/h1-7H,(H,16,18)
InChIKeyIHGUDQDSYDNPIL-UHFFFAOYSA-N
XLogP3.70
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.75
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-3-pyridinyl)-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 17253103
N-(4-bromo-2-fluorophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17022345
N-(4-bromophenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3337766
N-cyclobutyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 24794414
N-[2-(2-methyl-1,3-thiazol-4-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 73168690
N-(4-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253069
N-[2-(1-methyl-6-oxopyridazin-3-yl)phenyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71805068
N-cyclopentyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 3242425
N-(3-acetylphenyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 17253076
N-(2,4-diethoxypyrimidin-5-yl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 122304519
N-(2-pyridin-2-ylethyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 51305009
N-cycloheptyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 4777467

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3337765) is N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cccnc1Cl)c1cc(-c2cccs2)on1.
What is the InChIKey of N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is IHGUDQDSYDNPIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClN3O2S/c14-12-8(3-1-5-15-12)16-13(18)9-7-10(19-17-9)11-4-2-6-20-11/h1-7H,(H,16,18).
What are the key properties of N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 305.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-pyridinyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3337765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).