4-phenyl-2,1-benzoxazole

C13H9NO — CID 14528185

IUPAC4-phenyl-2,1-benzoxazole
SMILESc1ccc(-c2cccc3nocc23)cc1
InChIInChI=1S/C13H9NO/c1-2-5-10(6-3-1)11-7-4-8-13-12(11)9-15-14-13/h1-9H
InChIKeyMNYSEOYNWSXGHR-UHFFFAOYSA-N
MW195.22 g/mol
LogP3.49
Rot. Bonds1

About 4-phenyl-2,1-benzoxazole

4-phenyl-2,1-benzoxazole (PubChem CID 14528185) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-phenyl-2,1-benzoxazole.

Molecular Properties

Compound Name4-phenyl-2,1-benzoxazole
PubChem CID14528185
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name4-phenyl-2,1-benzoxazole
SMILESc1ccc(-c2cccc3nocc23)cc1
InChIInChI=1S/C13H9NO/c1-2-5-10(6-3-1)11-7-4-8-13-12(11)9-15-14-13/h1-9H
InChIKeyMNYSEOYNWSXGHR-UHFFFAOYSA-N
XLogP3.49
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,1-benzoxazole-4-carboxylic acid
CID 53422692
3-[2,3-bis(4-phenyl-1,2-oxazol-3-yl)phenyl]-4-phenyl-1,2-oxazole
CID 91007673
cyclopenta[d][1]benzazepine
CID 90914140
2,5-bis(4-phenylnaphthalen-1-yl)quinoline
CID 163839918
CID 175088616
CID 175088616
O-(2,6-diphenylphenyl)hydroxylamine
CID 146317858
2-methoxy-1,3-diphenylbenzene
CID 23524590
1-phenylphenanthrene;pyrazine
CID 175377735
1,2-dimethyl-5-phenylnaphthalene
CID 171799128
cyclopenta[c][2,1]benzoxazine
CID 70400701
4-phenyl-3-(trifluoromethoxy)-1,2-oxazole
CID 146635855
4-[3-(2,3-diphenylphenyl)phenyl]quinoline
CID 175299153

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2,1-benzoxazole?
The IUPAC name of 4-phenyl-2,1-benzoxazole (CID 14528185) is 4-phenyl-2,1-benzoxazole.
What is the SMILES notation for 4-phenyl-2,1-benzoxazole?
The canonical SMILES for 4-phenyl-2,1-benzoxazole is c1ccc(-c2cccc3nocc23)cc1.
What is the InChIKey of 4-phenyl-2,1-benzoxazole?
The InChIKey is MNYSEOYNWSXGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO/c1-2-5-10(6-3-1)11-7-4-8-13-12(11)9-15-14-13/h1-9H.
What are the key properties of 4-phenyl-2,1-benzoxazole?
4-phenyl-2,1-benzoxazole has a molecular weight of 195.22 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2,1-benzoxazole is sourced from PubChem (CID 14528185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).