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

C20H15NO — CID 162654334

IUPAC2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole
SMILESCc1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1
InChIInChI=1S/C20H15NO/c1-14-21-20(13-22-14)17-11-9-16(10-12-17)19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,1H3
InChIKeyNEGRDVRXLHDXHF-UHFFFAOYSA-N
MW285.35 g/mol
LogP5.47
Rot. Bonds2

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

2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole (PubChem CID 162654334) has the molecular formula C20H15NO and a molecular weight of 285.35 g/mol. Its IUPAC name is 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole
PubChem CID162654334
Molecular FormulaC20H15NO
Molecular Weight285.35 g/mol
Exact Mass285.12
IUPAC Name2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole
SMILESCc1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1
InChIInChI=1S/C20H15NO/c1-14-21-20(13-22-14)17-11-9-16(10-12-17)19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,1H3
InChIKeyNEGRDVRXLHDXHF-UHFFFAOYSA-N
XLogP5.47
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.35
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The IUPAC name of 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole (CID 162654334) is 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole.
What is the SMILES notation for 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The canonical SMILES for 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole is Cc1nc(-c2ccc(-c3cccc4ccccc34)cc2)co1.
What is the InChIKey of 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
The InChIKey is NEGRDVRXLHDXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO/c1-14-21-20(13-22-14)17-11-9-16(10-12-17)19-8-4-6-15-5-2-3-7-18(15)19/h2-13H,1H3.
What are the key properties of 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole?
2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole has a molecular weight of 285.35 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(4-naphthalen-1-ylphenyl)-1,3-oxazole is sourced from PubChem (CID 162654334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).