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

C8H7N3O — CID 58646249

IUPAC2-methyl-4-pyrimidin-2-yl-1,3-oxazole
SMILESCc1nc(-c2ncccn2)co1
InChIInChI=1S/C8H7N3O/c1-6-11-7(5-12-6)8-9-3-2-4-10-8/h2-5H,1H3
InChIKeyLWVPWHSJWQGMKL-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.44
Rot. Bonds1

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

2-methyl-4-pyrimidin-2-yl-1,3-oxazole (PubChem CID 58646249) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-methyl-4-pyrimidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-pyrimidin-2-yl-1,3-oxazole
PubChem CID58646249
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-methyl-4-pyrimidin-2-yl-1,3-oxazole
SMILESCc1nc(-c2ncccn2)co1
InChIInChI=1S/C8H7N3O/c1-6-11-7(5-12-6)8-9-3-2-4-10-8/h2-5H,1H3
InChIKeyLWVPWHSJWQGMKL-UHFFFAOYSA-N
XLogP1.44
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-pyrimidin-2-yl-1,3-oxazole?
The IUPAC name of 2-methyl-4-pyrimidin-2-yl-1,3-oxazole (CID 58646249) is 2-methyl-4-pyrimidin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-pyrimidin-2-yl-1,3-oxazole?
The canonical SMILES for 2-methyl-4-pyrimidin-2-yl-1,3-oxazole is Cc1nc(-c2ncccn2)co1.
What is the InChIKey of 2-methyl-4-pyrimidin-2-yl-1,3-oxazole?
The InChIKey is LWVPWHSJWQGMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-11-7(5-12-6)8-9-3-2-4-10-8/h2-5H,1H3.
What are the key properties of 2-methyl-4-pyrimidin-2-yl-1,3-oxazole?
2-methyl-4-pyrimidin-2-yl-1,3-oxazole has a molecular weight of 161.16 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-pyrimidin-2-yl-1,3-oxazole is sourced from PubChem (CID 58646249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).