2-methyl-4-pyridin-3-yl-1,3-oxazole

C9H8N2O — CID 19018561

IUPAC2-methyl-4-pyridin-3-yl-1,3-oxazole
SMILESCc1nc(-c2cccnc2)co1
InChIInChI=1S/C9H8N2O/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3
InChIKeyKKKGWSFASJUVJH-UHFFFAOYSA-N
MW160.18 g/mol
LogP2.05
Rot. Bonds1

About 2-methyl-4-pyridin-3-yl-1,3-oxazole

2-methyl-4-pyridin-3-yl-1,3-oxazole (PubChem CID 19018561) has the molecular formula C9H8N2O and a molecular weight of 160.18 g/mol. Its IUPAC name is 2-methyl-4-pyridin-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-pyridin-3-yl-1,3-oxazole
PubChem CID19018561
Molecular FormulaC9H8N2O
Molecular Weight160.18 g/mol
Exact Mass160.06
IUPAC Name2-methyl-4-pyridin-3-yl-1,3-oxazole
SMILESCc1nc(-c2cccnc2)co1
InChIInChI=1S/C9H8N2O/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3
InChIKeyKKKGWSFASJUVJH-UHFFFAOYSA-N
XLogP2.05
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.18
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 43704774
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2,6-dipyridin-3-ylpyridine
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ethane;2-methyl-6-pyridin-3-ylpyridine
CID 144687863
2-methyl-4-(1-methylpyridin-1-ium-3-yl)-1,3-oxazole iodide
CID 19018576
1-(4-pyridin-3-yl-1,3-oxazol-2-yl)octadec-9-en-1-one
CID 68547196
4-pyridin-3-yloxadiazole
CID 18516068
3-methyl-6-pyridin-3-ylpyridazine
CID 89161646
2-methyl-6-pyridin-3-ylpyridine;propane
CID 144615785
3-methyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-b]pyridine
CID 134811094
8-methyl-2-pyridin-3-ylquinoline
CID 125496977
2-methyl-5-pyridin-3-yl-1,3,4-oxadiazole
CID 5052252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyridin-3-yl-1,3-oxazole?
The IUPAC name of 2-methyl-4-pyridin-3-yl-1,3-oxazole (CID 19018561) is 2-methyl-4-pyridin-3-yl-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-pyridin-3-yl-1,3-oxazole?
The canonical SMILES for 2-methyl-4-pyridin-3-yl-1,3-oxazole is Cc1nc(-c2cccnc2)co1.
What is the InChIKey of 2-methyl-4-pyridin-3-yl-1,3-oxazole?
The InChIKey is KKKGWSFASJUVJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O/c1-7-11-9(6-12-7)8-3-2-4-10-5-8/h2-6H,1H3.
What are the key properties of 2-methyl-4-pyridin-3-yl-1,3-oxazole?
2-methyl-4-pyridin-3-yl-1,3-oxazole has a molecular weight of 160.18 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyridin-3-yl-1,3-oxazole is sourced from PubChem (CID 19018561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).