2-(4-methylpyrimidin-2-yl)-1,3-oxazole

C8H7N3O — CID 21025912

IUPAC2-(4-methylpyrimidin-2-yl)-1,3-oxazole
SMILESCc1ccnc(-c2ncco2)n1
InChIInChI=1S/C8H7N3O/c1-6-2-3-9-7(11-6)8-10-4-5-12-8/h2-5H,1H3
InChIKeyFVEQZRVFINFMNP-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.44
Rot. Bonds1

About 2-(4-methylpyrimidin-2-yl)-1,3-oxazole

2-(4-methylpyrimidin-2-yl)-1,3-oxazole (PubChem CID 21025912) has the molecular formula C8H7N3O and a molecular weight of 161.16 g/mol. Its IUPAC name is 2-(4-methylpyrimidin-2-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-methylpyrimidin-2-yl)-1,3-oxazole
PubChem CID21025912
Molecular FormulaC8H7N3O
Molecular Weight161.16 g/mol
Exact Mass161.06
IUPAC Name2-(4-methylpyrimidin-2-yl)-1,3-oxazole
SMILESCc1ccnc(-c2ncco2)n1
InChIInChI=1S/C8H7N3O/c1-6-2-3-9-7(11-6)8-10-4-5-12-8/h2-5H,1H3
InChIKeyFVEQZRVFINFMNP-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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Related Compounds

2-[4-(2,6-dimethyl-3-pyridinyl)phenyl]-1,3-oxazole
CID 90367981
2-[6-[(6-methyl-2-pyridinyl)methyl]-2-pyridinyl]-1,3-oxazole
CID 71005817
CID 159996355
CID 159996355
5-(4-methylpyrimidin-2-yl)pyrimidine-2-carboxylic acid
CID 165452634
2-(2-bromophenyl)-4-methylpyrimidine
CID 21025834
2-(3,4-dichlorophenyl)-4-methylpyrimidine
CID 21025841
4-methyl-2-thiophen-2-ylpyrimidine
CID 21025894
2-methyl-5-(1,3-oxazol-2-yl)-1,3,4-oxadiazole
CID 143414477
2-(1,3-oxazol-2-yl)pyrimidine-5-carbonitrile
CID 71743317
4-methyl-N,N-bis(sulfanyl)pyrimidin-2-amine
CID 89307492
2-([1,2,4]triazolo[1,5-c]pyrimidin-2-yl)-1,3-oxazole
CID 175691571
2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
CID 71374228

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpyrimidin-2-yl)-1,3-oxazole?
The IUPAC name of 2-(4-methylpyrimidin-2-yl)-1,3-oxazole (CID 21025912) is 2-(4-methylpyrimidin-2-yl)-1,3-oxazole.
What is the SMILES notation for 2-(4-methylpyrimidin-2-yl)-1,3-oxazole?
The canonical SMILES for 2-(4-methylpyrimidin-2-yl)-1,3-oxazole is Cc1ccnc(-c2ncco2)n1.
What is the InChIKey of 2-(4-methylpyrimidin-2-yl)-1,3-oxazole?
The InChIKey is FVEQZRVFINFMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O/c1-6-2-3-9-7(11-6)8-10-4-5-12-8/h2-5H,1H3.
What are the key properties of 2-(4-methylpyrimidin-2-yl)-1,3-oxazole?
2-(4-methylpyrimidin-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-(4-methylpyrimidin-2-yl)-1,3-oxazole is sourced from PubChem (CID 21025912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).