2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole

C15H12N2O — CID 5174

IUPAC2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole
SMILESCc1nc(-c2ccccc2)c(-c2ccncc2)o1
InChIInChI=1S/C15H12N2O/c1-11-17-14(12-5-3-2-4-6-12)15(18-11)13-7-9-16-10-8-13/h2-10H,1H3
InChIKeyBHWCZLOXTLWZAQ-UHFFFAOYSA-N
MW236.27 g/mol
LogP3.71
Rot. Bonds2

About 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole

2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole (PubChem CID 5174) has the molecular formula C15H12N2O and a molecular weight of 236.27 g/mol. Its IUPAC name is 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole
PubChem CID5174
Molecular FormulaC15H12N2O
Molecular Weight236.27 g/mol
Exact Mass236.09
IUPAC Name2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole
SMILESCc1nc(-c2ccccc2)c(-c2ccncc2)o1
InChIInChI=1S/C15H12N2O/c1-11-17-14(12-5-3-2-4-6-12)15(18-11)13-7-9-16-10-8-13/h2-10H,1H3
InChIKeyBHWCZLOXTLWZAQ-UHFFFAOYSA-N
XLogP3.71
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole?
The IUPAC name of 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole (CID 5174) is 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole?
The canonical SMILES for 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole is Cc1nc(-c2ccccc2)c(-c2ccncc2)o1.
What is the InChIKey of 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole?
The InChIKey is BHWCZLOXTLWZAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O/c1-11-17-14(12-5-3-2-4-6-12)15(18-11)13-7-9-16-10-8-13/h2-10H,1H3.
What are the key properties of 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole?
2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole has a molecular weight of 236.27 g/mol, XLogP of 3.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenyl-5-pyridin-4-yl-1,3-oxazole is sourced from PubChem (CID 5174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).