[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate

C17H12N2O3 — CID 7925435

IUPAC[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C17H12N2O3/c20-16(11-6-13-4-2-1-3-5-13)22-15-9-7-14(8-10-15)17-19-18-12-21-17/h1-12H/b11-6+
InChIKeyAJIIIWIYPQTCJO-IZZDOVSWSA-N
MW292.29 g/mol
LogP3.36
Rot. Bonds4

About [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate

[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate (PubChem CID 7925435) has the molecular formula C17H12N2O3 and a molecular weight of 292.29 g/mol. Its IUPAC name is [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Name[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate
PubChem CID7925435
Molecular FormulaC17H12N2O3
Molecular Weight292.29 g/mol
Exact Mass292.08
IUPAC Name[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate
SMILESO=C(/C=C/c1ccccc1)Oc1ccc(-c2nnco2)cc1
InChIInChI=1S/C17H12N2O3/c20-16(11-6-13-4-2-1-3-5-13)22-15-9-7-14(8-10-15)17-19-18-12-21-17/h1-12H/b11-6+
InChIKeyAJIIIWIYPQTCJO-IZZDOVSWSA-N
XLogP3.36
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(4-propan-2-ylphenyl)prop-2-enoate
CID 16551636
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 18275961
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-(5-phenylthiophen-2-yl)prop-2-enoate
CID 8893959
(4-hydroxyphenyl) (E)-3-phenylprop-2-enoate
CID 639941
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
phenyl 3-[4-(3-oxo-3-phenoxyprop-1-enyl)phenyl]prop-2-enoate
CID 86184537
(4-aminophenyl) (E)-3-phenylprop-2-enoate
CID 87778224
(4-bromophenyl) 3-phenylprop-2-enoate
CID 759220
(4-phenylphenyl) (E)-3-(4-methylphenyl)prop-2-enoate
CID 6275541
[3,5-bis[[(E)-3-phenylprop-2-enoyl]oxy]phenyl] (E)-3-phenylprop-2-enoate
CID 59860900
[4-[(E)-3-oxobut-1-enyl]phenyl] (Z)-3-phenylprop-2-enoate
CID 92529146
(4-quinoxalin-2-ylphenyl) (E)-3-phenylprop-2-enoate
CID 1254915

Frequently Asked Questions

What is the IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate?
The IUPAC name of [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate (CID 7925435) is [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate.
What is the SMILES notation for [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate?
The canonical SMILES for [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate is O=C(/C=C/c1ccccc1)Oc1ccc(-c2nnco2)cc1.
What is the InChIKey of [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate?
The InChIKey is AJIIIWIYPQTCJO-IZZDOVSWSA-N. The full InChI is InChI=1S/C17H12N2O3/c20-16(11-6-13-4-2-1-3-5-13)22-15-9-7-14(8-10-15)17-19-18-12-21-17/h1-12H/b11-6+.
What are the key properties of [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate?
[4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate has a molecular weight of 292.29 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1,3,4-oxadiazol-2-yl)phenyl] (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 7925435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).