(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide

C21H14F3N5O2 — CID 18285613

IUPAC(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C21H14F3N5O2/c22-21(23,24)15-8-10-16(11-9-15)25-20(30)18(13-17-7-4-12-31-17)29-19(26-27-28-29)14-5-2-1-3-6-14/h1-13H,(H,25,30)/b18-13-
InChIKeyZWLAUTATJLTRAB-AQTBWJFISA-N
MW425.37 g/mol
LogP4.59
Rot. Bonds5

About (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide

(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide (PubChem CID 18285613) has the molecular formula C21H14F3N5O2 and a molecular weight of 425.37 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
PubChem CID18285613
Molecular FormulaC21H14F3N5O2
Molecular Weight425.37 g/mol
Exact Mass425.11
IUPAC Name(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
SMILESO=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C21H14F3N5O2/c22-21(23,24)15-8-10-16(11-9-15)25-20(30)18(13-17-7-4-12-31-17)29-19(26-27-28-29)14-5-2-1-3-6-14/h1-13H,(H,25,30)/b18-13-
InChIKeyZWLAUTATJLTRAB-AQTBWJFISA-N
XLogP4.59
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.37
LogP ≤ 54.59
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

(Z)-N-(4-chloro-3-fluorophenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 55796584
(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 18227034
methyl 2-chloro-5-[[(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]benzoate
CID 34164149
(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
methyl 2-[[(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]benzoate
CID 24684522
3-(furan-2-yl)-N-(2-methylquinolin-8-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 72685071
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)prop-2-enamide
CID 55360248
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 41215853
(2-amino-2-oxoethyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7769582
(E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide
CID 134061444
[2-oxo-2-(4-piperidin-1-ylanilino)ethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 55310805

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The IUPAC name of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide (CID 18285613) is (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide.
What is the SMILES notation for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The canonical SMILES for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is O=C(Nc1ccc(C(F)(F)F)cc1)/C(=C/c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
The InChIKey is ZWLAUTATJLTRAB-AQTBWJFISA-N. The full InChI is InChI=1S/C21H14F3N5O2/c22-21(23,24)15-8-10-16(11-9-15)25-20(30)18(13-17-7-4-12-31-17)29-19(26-27-28-29)14-5-2-1-3-6-14/h1-13H,(H,25,30)/b18-13-.
What are the key properties of (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide?
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide has a molecular weight of 425.37 g/mol, XLogP of 4.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide is sourced from PubChem (CID 18285613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).