3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol

C17H15NO2 — CID 67605423

IUPAC3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol
SMILESC=C(CC(O)c1ccccc1)c1noc2ccccc12
InChIInChI=1S/C17H15NO2/c1-12(11-15(19)13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)20-18-17/h2-10,15,19H,1,11H2
InChIKeyDDZWXZAXTNQXJM-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.96
Rot. Bonds4

About 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol

3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol (PubChem CID 67605423) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol.

Molecular Properties

Compound Name3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol
PubChem CID67605423
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol
SMILESC=C(CC(O)c1ccccc1)c1noc2ccccc12
InChIInChI=1S/C17H15NO2/c1-12(11-15(19)13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)20-18-17/h2-10,15,19H,1,11H2
InChIKeyDDZWXZAXTNQXJM-UHFFFAOYSA-N
XLogP3.96
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1,3-diphenylbut-3-en-1-ol
CID 101158023
(1R)-1-phenyl-3-(trimethylsilylmethyl)but-3-en-1-ol
CID 11183924
(2E)-2-(1,2-benzoxazol-3-yl)-2-hydroxyiminoacetic acid
CID 135604901
(1S)-4-methyl-3-methylidene-1-phenylpentan-1-ol
CID 134966288
N-methyl-1,2-benzoxazole-3-carboxamide
CID 10419698
1-(1,2-benzoxazol-3-yl)-2-bromoethanone;1-(1,2-benzoxazol-3-yl)ethanone
CID 161245986
3-methylidene-1-phenylnonan-1-ol
CID 102449396
3-(1,2-benzoxazol-3-yl)-1-phenylbutan-1-amine
CID 140994751
2-(1,2-benzoxazol-3-yl)-N-[(1S)-1-phenylethyl]acetamide
CID 40647246
2-(1,2-benzoxazol-3-yl)-1-methoxyethanol
CID 152805743
N-benzyl-3-hydroxy-3-phenylpropanamide
CID 15473661
(4S)-4-hydroxy-4-phenylbutan-2-one
CID 10888260

Frequently Asked Questions

What is the IUPAC name of 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol?
The IUPAC name of 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol (CID 67605423) is 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol.
What is the SMILES notation for 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol?
The canonical SMILES for 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol is C=C(CC(O)c1ccccc1)c1noc2ccccc12.
What is the InChIKey of 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol?
The InChIKey is DDZWXZAXTNQXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12(11-15(19)13-7-3-2-4-8-13)17-14-9-5-6-10-16(14)20-18-17/h2-10,15,19H,1,11H2.
What are the key properties of 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol?
3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol has a molecular weight of 265.31 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,2-benzoxazol-3-yl)-1-phenylbut-3-en-1-ol is sourced from PubChem (CID 67605423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).