5-(4-propan-2-ylphenyl)-1,2-benzoxazole

C16H15NO — CID 146554947

IUPAC5-(4-propan-2-ylphenyl)-1,2-benzoxazole
SMILESCC(C)c1ccc(-c2ccc3oncc3c2)cc1
InChIInChI=1S/C16H15NO/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16/h3-11H,1-2H3
InChIKeyLRFQWSJHZDTTHK-UHFFFAOYSA-N
MW237.30 g/mol
LogP4.62
Rot. Bonds2

About 5-(4-propan-2-ylphenyl)-1,2-benzoxazole

5-(4-propan-2-ylphenyl)-1,2-benzoxazole (PubChem CID 146554947) has the molecular formula C16H15NO and a molecular weight of 237.30 g/mol. Its IUPAC name is 5-(4-propan-2-ylphenyl)-1,2-benzoxazole.

Molecular Properties

Compound Name5-(4-propan-2-ylphenyl)-1,2-benzoxazole
PubChem CID146554947
Molecular FormulaC16H15NO
Molecular Weight237.30 g/mol
Exact Mass237.12
IUPAC Name5-(4-propan-2-ylphenyl)-1,2-benzoxazole
SMILESCC(C)c1ccc(-c2ccc3oncc3c2)cc1
InChIInChI=1S/C16H15NO/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16/h3-11H,1-2H3
InChIKeyLRFQWSJHZDTTHK-UHFFFAOYSA-N
XLogP4.62
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Benzisoxazole
CID 71073
3-(2-(1-Benzylpiperidin-4-yl)ethyl)-5-methylbenzo[d]isoxazole
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3-(2-(1-Benzylpiperidin-4-yl)ethyl)-5,6-dimethylbenzo[d]isoxazole
CID 10020679
Methyl 4-(5-phenyl-4-isoxazolyl)phenyl ether
CID 11311281
1,2-Benzoxazole-5-carbaldehyde
CID 72212723
4,5-Diphenylisoxazole
CID 291189
1,2-Benzisoxazole-5-methanol
CID 60209169
5-(4-Hydroxy-3-prop-2-enylphenyl)-7-prop-2-enyl-1,2-benzoxazol-4-ol
CID 135966047
4-Prop-2-enyl-2-(7-prop-2-enyl-1,2-benzoxazol-5-yl)phenol
CID 155528105
6-Fluorobenzo[d]isoxazole
CID 19372844
Phenylindoxazen
CID 12396667
(1-(1,2-Benzoxazol-5-yl)propan-2-yl)(methyl)amine hydrochloride
CID 155977769

Frequently Asked Questions

What is the IUPAC name of 5-(4-propan-2-ylphenyl)-1,2-benzoxazole?
The IUPAC name of 5-(4-propan-2-ylphenyl)-1,2-benzoxazole (CID 146554947) is 5-(4-propan-2-ylphenyl)-1,2-benzoxazole.
What is the SMILES notation for 5-(4-propan-2-ylphenyl)-1,2-benzoxazole?
The canonical SMILES for 5-(4-propan-2-ylphenyl)-1,2-benzoxazole is CC(C)c1ccc(-c2ccc3oncc3c2)cc1.
What is the InChIKey of 5-(4-propan-2-ylphenyl)-1,2-benzoxazole?
The InChIKey is LRFQWSJHZDTTHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO/c1-11(2)12-3-5-13(6-4-12)14-7-8-16-15(9-14)10-17-18-16/h3-11H,1-2H3.
What are the key properties of 5-(4-propan-2-ylphenyl)-1,2-benzoxazole?
5-(4-propan-2-ylphenyl)-1,2-benzoxazole has a molecular weight of 237.30 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-propan-2-ylphenyl)-1,2-benzoxazole is sourced from PubChem (CID 146554947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).