[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate

C25H19N5O5 — CID 24577262

IUPAC[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
SMILESCOc1ccc(-c2cc(COC(=O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)on2)cc1
InChIInChI=1S/C25H19N5O5/c1-32-19-11-9-17(10-12-19)22-14-21(35-27-22)16-34-25(31)23(15-20-8-5-13-33-20)30-24(26-28-29-30)18-6-3-2-4-7-18/h2-15H,16H2,1H3/b23-15-
InChIKeyXZPAPMRUPFFHBR-HAHDFKILSA-N
MW469.46 g/mol
LogP4.34
Rot. Bonds8

About [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate (PubChem CID 24577262) has the molecular formula C25H19N5O5 and a molecular weight of 469.46 g/mol. Its IUPAC name is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate.

Molecular Properties

Compound Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
PubChem CID24577262
Molecular FormulaC25H19N5O5
Molecular Weight469.46 g/mol
Exact Mass469.14
IUPAC Name[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
SMILESCOc1ccc(-c2cc(COC(=O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)on2)cc1
InChIInChI=1S/C25H19N5O5/c1-32-19-11-9-17(10-12-19)22-14-21(35-27-22)16-34-25(31)23(15-20-8-5-13-33-20)30-24(26-28-29-30)18-6-3-2-4-7-18/h2-15H,16H2,1H3/b23-15-
InChIKeyXZPAPMRUPFFHBR-HAHDFKILSA-N
XLogP4.34
TPSA118.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.46
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-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

(2-amino-2-oxoethyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7769582
(4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 18279113
naphthalen-1-ylmethyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 18269696
(3-chlorophenyl)methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7769583
(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 18227034
imidazo[1,2-a]pyridin-2-ylmethyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7250549
[2-(4-fluorophenyl)-2-oxoethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 41215477
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 41215853
[2-[benzyl(propan-2-yl)amino]-2-oxoethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 41215201
methyl 2-[[(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]benzoate
CID 24684522
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7363985
(Z)-3-(furan-2-yl)-N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661286

Frequently Asked Questions

What is the IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The IUPAC name of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate (CID 24577262) is [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate.
What is the SMILES notation for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The canonical SMILES for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate is COc1ccc(-c2cc(COC(=O)/C(=C/c3ccco3)n3nnnc3-c3ccccc3)on2)cc1.
What is the InChIKey of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
The InChIKey is XZPAPMRUPFFHBR-HAHDFKILSA-N. The full InChI is InChI=1S/C25H19N5O5/c1-32-19-11-9-17(10-12-19)22-14-21(35-27-22)16-34-25(31)23(15-20-8-5-13-33-20)30-24(26-28-29-30)18-6-3-2-4-7-18/h2-15H,16H2,1H3/b23-15-.
What are the key properties of [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate?
[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate has a molecular weight of 469.46 g/mol, XLogP of 4.34, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate is sourced from PubChem (CID 24577262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).