5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole

C9H7ClN2O — CID 166610729

IUPAC5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccnc(Cl)c2)o1
InChIInChI=1S/C9H7ClN2O/c1-6-12-5-8(13-6)7-2-3-11-9(10)4-7/h2-5H,1H3
InChIKeyNVISGPBXQDMZRF-UHFFFAOYSA-N
MW194.62 g/mol
LogP2.70
Rot. Bonds1

About 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole

5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole (PubChem CID 166610729) has the molecular formula C9H7ClN2O and a molecular weight of 194.62 g/mol. Its IUPAC name is 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole.

Molecular Properties

Compound Name5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole
PubChem CID166610729
Molecular FormulaC9H7ClN2O
Molecular Weight194.62 g/mol
Exact Mass194.02
IUPAC Name5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole
SMILESCc1ncc(-c2ccnc(Cl)c2)o1
InChIInChI=1S/C9H7ClN2O/c1-6-12-5-8(13-6)7-2-3-11-9(10)4-7/h2-5H,1H3
InChIKeyNVISGPBXQDMZRF-UHFFFAOYSA-N
XLogP2.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.62
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(2-chloropyrimidin-4-yl)-2-methyl-1,3-oxazole
CID 166610755
2-fluoro-5-(2-methyl-1,3-oxazol-5-yl)benzenethiol
CID 70639220
5-(3-methoxyphenyl)-2-methyl-1,3-oxazole
CID 67394978
2-fluoro-N,N-dimethyl-5-(2-methyl-1,3-oxazol-5-yl)aniline
CID 141279145
2-chloro-4-(1,5-dimethylpyrrol-3-yl)pyridine
CID 58592618
3-(2-chloro-4-pyridinyl)-2-methyl-5-nitropyridine
CID 168928931
2-chloro-4-(2,3,4,5,6-pentachlorophenyl)pyridine
CID 134619705
2-(2-chloro-4-pyridinyl)pyrazine
CID 71615032
5-(furan-2-yl)-2-methyl-1,3-oxazole
CID 14248637
5-(4-ethoxyphenyl)-2-methyl-1,3-oxazole
CID 166610196
2-methyl-5-[4-(2-phenylethynyl)phenyl]-1,3-oxazole
CID 10199073
2-chloro-4-(4-ethyl-3-methylphenyl)pyridine
CID 122646749

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole?
The IUPAC name of 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole (CID 166610729) is 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole.
What is the SMILES notation for 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole?
The canonical SMILES for 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole is Cc1ncc(-c2ccnc(Cl)c2)o1.
What is the InChIKey of 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole?
The InChIKey is NVISGPBXQDMZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2O/c1-6-12-5-8(13-6)7-2-3-11-9(10)4-7/h2-5H,1H3.
What are the key properties of 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole?
5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole has a molecular weight of 194.62 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-4-pyridinyl)-2-methyl-1,3-oxazole is sourced from PubChem (CID 166610729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).