2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole

C12H11N3O2 — CID 158764360

IUPAC2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole
SMILESCc1ccc(-c2ncco2)cn1.c1cocn1
InChIInChI=1S/C9H8N2O.C3H3NO/c1-7-2-3-8(6-11-7)9-10-4-5-12-9;1-2-5-3-4-1/h2-6H,1H3;1-3H
InChIKeyIPBLJAOTCIWJRT-UHFFFAOYSA-N
MW229.24 g/mol
LogP2.72
Rot. Bonds1

About 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole

2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole (PubChem CID 158764360) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole.

Molecular Properties

Compound Name2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole
PubChem CID158764360
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole
SMILESCc1ccc(-c2ncco2)cn1.c1cocn1
InChIInChI=1S/C9H8N2O.C3H3NO/c1-7-2-3-8(6-11-7)9-10-4-5-12-9;1-2-5-3-4-1/h2-6H,1H3;1-3H
InChIKeyIPBLJAOTCIWJRT-UHFFFAOYSA-N
XLogP2.72
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(6-propan-2-yl-3-pyridinyl)-1,3-oxazole
CID 89273799
2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole
CID 90367981
2-(furan-2-yl)-1,3-oxazole;1,3-oxazole;2-thiophen-2-ylfuran
CID 161151792
zinc;1,3-oxazole;dichloride
CID 69350810
5-(6-methyl-3-pyridinyl)pyrimidine
CID 88985866
2-(4-methylpyrimidin-2-yl)-1,3-oxazole
CID 21025912
2-methyl-5-(1,3-oxazol-2-yl)benzoic acid
CID 170993673
6-(6-methyl-3-pyridinyl)-1H-pyrazin-2-one
CID 106517757
N,N-diethyl-4-(1,3-oxazol-2-yl)aniline
CID 23047077
2-(4-butoxyphenyl)-1,3-oxazole
CID 69161830
5-(1H-imidazol-5-yl)-2-methylpyridine
CID 11586339
2-(4-pyridin-2-ylphenyl)-1,3-oxazole
CID 142277060

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole?
The IUPAC name of 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole (CID 158764360) is 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole.
What is the SMILES notation for 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole?
The canonical SMILES for 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole is Cc1ccc(-c2ncco2)cn1.c1cocn1.
What is the InChIKey of 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole?
The InChIKey is IPBLJAOTCIWJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C3H3NO/c1-7-2-3-8(6-11-7)9-10-4-5-12-9;1-2-5-3-4-1/h2-6H,1H3;1-3H.
What are the key properties of 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole?
2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole has a molecular weight of 229.24 g/mol, XLogP of 2.72, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-3-pyridinyl)-1,3-oxazole;1,3-oxazole is sourced from PubChem (CID 158764360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).