4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole

C16H14N2O — CID 163316308

IUPAC4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole
SMILESCc1ccc(-c2ocnc2Cc2ccccc2)nc1
InChIInChI=1S/C16H14N2O/c1-12-7-8-14(17-10-12)16-15(18-11-19-16)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3
InChIKeyOWQIMHRGBQNJIV-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.64
Rot. Bonds3

About 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole

4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole (PubChem CID 163316308) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole.

Molecular Properties

Compound Name4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole
PubChem CID163316308
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole
SMILESCc1ccc(-c2ocnc2Cc2ccccc2)nc1
InChIInChI=1S/C16H14N2O/c1-12-7-8-14(17-10-12)16-15(18-11-19-16)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3
InChIKeyOWQIMHRGBQNJIV-UHFFFAOYSA-N
XLogP3.64
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-5-(2-ethyl-1,2,4-triazol-3-yl)-1,3-oxazole
CID 163311032
1-(4-benzyl-1,3-oxazol-5-yl)-N-methylmethanamine
CID 112545403
2-[[5-(4-benzyl-1,3-oxazol-5-yl)pyrimidin-2-yl]amino]acetic acid
CID 163312376
5-methyl-2-[4-(6-phenylhexyl)phenyl]pyridine
CID 140814097
1-benzyl-4-methylbenzene;toluene
CID 144690555
1-[5-(4-benzyl-1,3-oxazol-5-yl)-2-methoxyphenyl]-N,N-dimethylmethanamine
CID 163307292
2,2-dimethylpropane;5-methyl-2-phenylpyridine
CID 143955006
4-benzyl-5-[2-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305968
4-benzyl-5-[3-(pyrazol-1-ylmethyl)phenyl]-1,3-oxazole
CID 163305240
N-benzyl-5-[(4-methylphenyl)methyl]pyridin-2-amine
CID 10334318
2-benzyl-5-(4-methylphenyl)-1,3-oxazole
CID 135058309
phenyl(113C)methylbenzene
CID 11194569

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole?
The IUPAC name of 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole (CID 163316308) is 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole.
What is the SMILES notation for 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole?
The canonical SMILES for 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole is Cc1ccc(-c2ocnc2Cc2ccccc2)nc1.
What is the InChIKey of 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole?
The InChIKey is OWQIMHRGBQNJIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-12-7-8-14(17-10-12)16-15(18-11-19-16)9-13-5-3-2-4-6-13/h2-8,10-11H,9H2,1H3.
What are the key properties of 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole?
4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole has a molecular weight of 250.30 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-5-(5-methyl-2-pyridinyl)-1,3-oxazole is sourced from PubChem (CID 163316308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).