3,5-diphenyl-2,1-benzoxazole

C19H13NO — CID 15446367

IUPAC3,5-diphenyl-2,1-benzoxazole
SMILESc1ccc(-c2ccc3noc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C19H13NO/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)19(21-20-18)15-9-5-2-6-10-15/h1-13H
InChIKeyOBVGIUFUQVYNEJ-UHFFFAOYSA-N
MW271.32 g/mol
LogP5.16
Rot. Bonds2

About 3,5-diphenyl-2,1-benzoxazole

3,5-diphenyl-2,1-benzoxazole (PubChem CID 15446367) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 3,5-diphenyl-2,1-benzoxazole.

Molecular Properties

Compound Name3,5-diphenyl-2,1-benzoxazole
PubChem CID15446367
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name3,5-diphenyl-2,1-benzoxazole
SMILESc1ccc(-c2ccc3noc(-c4ccccc4)c3c2)cc1
InChIInChI=1S/C19H13NO/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)19(21-20-18)15-9-5-2-6-10-15/h1-13H
InChIKeyOBVGIUFUQVYNEJ-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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Related Compounds

3-(3-phenyl-2,1-benzoxazol-5-yl)quinolin-7-ol
CID 137218432
3,5-bis(4-propan-2-yloxyphenyl)-2,1-benzoxazole
CID 134179645
N,N'-diamino-3-(4-phenylphenyl)-2,1-benzoxazole-5-carboximidamide
CID 169143791
3-(4-benzylphenyl)-2,1-benzoxazole-5-carbaldehyde
CID 169143781
3-(4-chlorophenyl)-5-(2-phenylpyrazol-3-yl)-2,1-benzoxazole
CID 2765354
N-(4-fluorophenyl)-4-(3-phenyl-2,1-benzoxazol-5-yl)pyrimidin-2-amine
CID 10134485
azetidin-1-yl-(3-phenyl-2,1-benzoxazol-5-yl)methanone
CID 17488305
3-(4-methylphenyl)-2,1-benzoxazole-5-carboxylic acid
CID 17015159
5-(2-methyl-1,3-oxathiolan-2-yl)-3-phenyl-2,1-benzoxazole
CID 18874757
N-cyclopropyl-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 9210227
N-(4-acetamidophenyl)-3-phenyl-2,1-benzoxazole-5-carboxamide
CID 7465275
(4-acetylphenyl) 3-phenyl-2,1-benzoxazole-5-carboxylate
CID 9191795

Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2,1-benzoxazole?
The IUPAC name of 3,5-diphenyl-2,1-benzoxazole (CID 15446367) is 3,5-diphenyl-2,1-benzoxazole.
What is the SMILES notation for 3,5-diphenyl-2,1-benzoxazole?
The canonical SMILES for 3,5-diphenyl-2,1-benzoxazole is c1ccc(-c2ccc3noc(-c4ccccc4)c3c2)cc1.
What is the InChIKey of 3,5-diphenyl-2,1-benzoxazole?
The InChIKey is OBVGIUFUQVYNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c1-3-7-14(8-4-1)16-11-12-18-17(13-16)19(21-20-18)15-9-5-2-6-10-15/h1-13H.
What are the key properties of 3,5-diphenyl-2,1-benzoxazole?
3,5-diphenyl-2,1-benzoxazole 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 3,5-diphenyl-2,1-benzoxazole is sourced from PubChem (CID 15446367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).