3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid

C14H10N4O3 — CID 3569296

IUPAC3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChIKeyYVQAGBCKIDNFLC-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.02
Rot. Bonds4

About 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid

3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid (PubChem CID 3569296) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid.

Molecular Properties

Compound Name3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
PubChem CID3569296
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid
SMILESO=C(O)C(=Cc1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20)
InChIKeyYVQAGBCKIDNFLC-UHFFFAOYSA-N
XLogP2.02
TPSA94.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-(2-furyl)-1H-tetrazole
CID 763759
3-(furan-2-yl)-2-(5-phenyl-1H-1,2,3,4-tetrazol-1-yl)prop-2-enoic acid
CID 7363986
1H-Tetrazole-1-acetic acid, alpha-(2-furanylmethylene)-5-phenyl-
CID 5863428
(Z)-N-cycloheptyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 8117412
[4-(4-fluorophenyl)-4-oxobutyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 16273076
2-(2-fluorophenoxy)ethyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 18271800
(2-chloro-6-fluorophenyl)methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 18276507
(4-fluorophenyl)methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 22830509
3-(4-fluorophenoxy)propyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 24342718
[2-(2,4-difluorophenyl)-2-oxoethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 24460610
(5-cyano-2-fluorophenyl)methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 24577265
[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 28057452

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid?
The IUPAC name of 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid (CID 3569296) is 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid.
What is the SMILES notation for 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid?
The canonical SMILES for 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid is O=C(O)C(=Cc1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid?
The InChIKey is YVQAGBCKIDNFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c19-14(20)12(9-11-7-4-8-21-11)18-13(15-16-17-18)10-5-2-1-3-6-10/h1-9H,(H,19,20).
What are the key properties of 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid?
3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid has a molecular weight of 282.26 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoic acid is sourced from PubChem (CID 3569296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).