[3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate

C14H10N4O3 — CID 4822208

IUPAC[3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate
SMILESO=C(C=Cc1ccco1)Oc1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H10N4O3/c19-14(7-6-12-5-2-8-20-12)21-13-4-1-3-11(9-13)18-10-15-16-17-18/h1-10H
InChIKeyVSMOSAZRRKBJJV-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.87
Rot. Bonds4

About [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate

[3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate (PubChem CID 4822208) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate.

Molecular Properties

Compound Name[3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate
PubChem CID4822208
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name[3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate
SMILESO=C(C=Cc1ccco1)Oc1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H10N4O3/c19-14(7-6-12-5-2-8-20-12)21-13-4-1-3-11(9-13)18-10-15-16-17-18/h1-10H
InChIKeyVSMOSAZRRKBJJV-UHFFFAOYSA-N
XLogP1.87
TPSA83.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(tetrazol-1-yl)phenyl] 4-bromobenzoate
CID 26897094
[3-(tetrazol-1-yl)phenyl] 3,5-dimethylbenzoate
CID 4822212
[3-(tetrazol-1-yl)phenyl] 4-fluorobenzoate
CID 1157241
(2S)-2-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 7026167
[4-(tetrazol-1-yl)phenyl] (E)-3-(3-nitrophenyl)prop-2-enoate
CID 7924925
[3-(tetrazol-1-yl)phenyl] adamantane-1-carboxylate
CID 26822199
[4-(4-fluorobenzoyl)phenyl] (E)-3-(furan-2-yl)prop-2-enoate
CID 7931115
3-[3-(tetrazol-1-yl)phenoxy]propanoic acid
CID 82513199
[3-(tetrazol-1-yl)phenyl] 3-nitrobenzoate
CID 769957
[4-(tetrazol-1-yl)phenyl] (E)-3-(2,5-dimethoxyphenyl)prop-2-enoate
CID 7758652
(4-nitrophenyl) (E)-3-(furan-2-yl)prop-2-enoate
CID 7005052
methyl 2-methyl-5-[[3-(tetrazol-1-yl)phenoxy]methyl]furan-3-carboxylate
CID 7705728

Frequently Asked Questions

What is the IUPAC name of [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate?
The IUPAC name of [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate (CID 4822208) is [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate.
What is the SMILES notation for [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate?
The canonical SMILES for [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate is O=C(C=Cc1ccco1)Oc1cccc(-n2cnnn2)c1.
What is the InChIKey of [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate?
The InChIKey is VSMOSAZRRKBJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14(7-6-12-5-2-8-20-12)21-13-4-1-3-11(9-13)18-10-15-16-17-18/h1-10H.
What are the key properties of [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate?
[3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate has a molecular weight of 282.26 g/mol, XLogP of 1.87, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(tetrazol-1-yl)phenyl] 3-(furan-2-yl)prop-2-enoate is sourced from PubChem (CID 4822208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).