4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole

C16H14N2O — CID 102271126

IUPAC4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole
SMILESc1ccc(CCc2coc(-c3ccccn3)n2)cc1
InChIInChI=1S/C16H14N2O/c1-2-6-13(7-3-1)9-10-14-12-19-16(18-14)15-8-4-5-11-17-15/h1-8,11-12H,9-10H2
InChIKeyKXNKMTQFLFTPKM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.52
Rot. Bonds4

About 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole

4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole (PubChem CID 102271126) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole
PubChem CID102271126
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole
SMILESc1ccc(CCc2coc(-c3ccccn3)n2)cc1
InChIInChI=1S/C16H14N2O/c1-2-6-13(7-3-1)9-10-14-12-19-16(18-14)15-8-4-5-11-17-15/h1-8,11-12H,9-10H2
InChIKeyKXNKMTQFLFTPKM-UHFFFAOYSA-N
XLogP3.52
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole?
The IUPAC name of 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole (CID 102271126) is 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole.
What is the SMILES notation for 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole?
The canonical SMILES for 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole is c1ccc(CCc2coc(-c3ccccn3)n2)cc1.
What is the InChIKey of 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole?
The InChIKey is KXNKMTQFLFTPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-2-6-13(7-3-1)9-10-14-12-19-16(18-14)15-8-4-5-11-17-15/h1-8,11-12H,9-10H2.
What are the key properties of 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole?
4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole has a molecular weight of 250.30 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-phenylethyl)-2-pyridin-2-yl-1,3-oxazole is sourced from PubChem (CID 102271126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).