1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol

C17H14N2O2 — CID 162672782

IUPAC1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
SMILESC=C(c1nc(-c2ccccc2)no1)C(O)c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-12(15(20)13-8-4-2-5-9-13)17-18-16(19-21-17)14-10-6-3-7-11-14/h2-11,15,20H,1H2
InChIKeyODTFLTWASBMJQX-UHFFFAOYSA-N
MW278.31 g/mol
LogP3.48
Rot. Bonds4

About 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol

1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol (PubChem CID 162672782) has the molecular formula C17H14N2O2 and a molecular weight of 278.31 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
PubChem CID162672782
Molecular FormulaC17H14N2O2
Molecular Weight278.31 g/mol
Exact Mass278.11
IUPAC Name1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol
SMILESC=C(c1nc(-c2ccccc2)no1)C(O)c1ccccc1
InChIInChI=1S/C17H14N2O2/c1-12(15(20)13-8-4-2-5-9-13)17-18-16(19-21-17)14-10-6-3-7-11-14/h2-11,15,20H,1H2
InChIKeyODTFLTWASBMJQX-UHFFFAOYSA-N
XLogP3.48
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The IUPAC name of 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol (CID 162672782) is 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The canonical SMILES for 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol is C=C(c1nc(-c2ccccc2)no1)C(O)c1ccccc1.
What is the InChIKey of 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
The InChIKey is ODTFLTWASBMJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O2/c1-12(15(20)13-8-4-2-5-9-13)17-18-16(19-21-17)14-10-6-3-7-11-14/h2-11,15,20H,1H2.
What are the key properties of 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol?
1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol has a molecular weight of 278.31 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)prop-2-en-1-ol is sourced from PubChem (CID 162672782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).