2-(4-naphthalen-1-ylphenyl)-1,3-oxazole

C19H13NO — CID 91980467

IUPAC2-(4-naphthalen-1-ylphenyl)-1,3-oxazole
SMILESc1ccc2c(-c3ccc(-c4ncco4)cc3)cccc2c1
InChIInChI=1S/C19H13NO/c1-2-6-17-14(4-1)5-3-7-18(17)15-8-10-16(11-9-15)19-20-12-13-21-19/h1-13H
InChIKeyWNFBTQSPOSIWQK-UHFFFAOYSA-N
MW271.32 g/mol
LogP5.16
Rot. Bonds2

About 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole

2-(4-naphthalen-1-ylphenyl)-1,3-oxazole (PubChem CID 91980467) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(4-naphthalen-1-ylphenyl)-1,3-oxazole
PubChem CID91980467
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name2-(4-naphthalen-1-ylphenyl)-1,3-oxazole
SMILESc1ccc2c(-c3ccc(-c4ncco4)cc3)cccc2c1
InChIInChI=1S/C19H13NO/c1-2-6-17-14(4-1)5-3-7-18(17)15-8-10-16(11-9-15)19-20-12-13-21-19/h1-13H
InChIKeyWNFBTQSPOSIWQK-UHFFFAOYSA-N
XLogP5.16
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.32
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The IUPAC name of 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole (CID 91980467) is 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The canonical SMILES for 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole is c1ccc2c(-c3ccc(-c4ncco4)cc3)cccc2c1.
What is the InChIKey of 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The InChIKey is WNFBTQSPOSIWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c1-2-6-17-14(4-1)5-3-7-18(17)15-8-10-16(11-9-15)19-20-12-13-21-19/h1-13H.
What are the key properties of 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
2-(4-naphthalen-1-ylphenyl)-1,3-oxazole has a molecular weight of 271.32 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-naphthalen-1-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 91980467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).