(E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide

C19H18F3N5O2 — CID 134061444

IUPAC(E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide
SMILESCCN(CCC(F)(F)F)C(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C19H18F3N5O2/c1-2-26(11-10-19(20,21)22)18(28)16(13-15-9-6-12-29-15)27-17(23-24-25-27)14-7-4-3-5-8-14/h3-9,12-13H,2,10-11H2,1H3/b16-13+
InChIKeyMZKRCOHUXHXNQP-DTQAZKPQSA-N
MW405.38 g/mol
LogP3.73
Rot. Bonds7

About (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide

(E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide (PubChem CID 134061444) has the molecular formula C19H18F3N5O2 and a molecular weight of 405.38 g/mol. Its IUPAC name is (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide
PubChem CID134061444
Molecular FormulaC19H18F3N5O2
Molecular Weight405.38 g/mol
Exact Mass405.14
IUPAC Name(E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide
SMILESCCN(CCC(F)(F)F)C(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1
InChIInChI=1S/C19H18F3N5O2/c1-2-26(11-10-19(20,21)22)18(28)16(13-15-9-6-12-29-15)27-17(23-24-25-27)14-7-4-3-5-8-14/h3-9,12-13H,2,10-11H2,1H3/b16-13+
InChIKeyMZKRCOHUXHXNQP-DTQAZKPQSA-N
XLogP3.73
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.38
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7363985
(2-amino-2-oxoethyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 7769582
(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 18285613
(4-phenylphenyl) (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 18279113
(Z)-3-(furan-2-yl)-N-(2-methoxyphenyl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661286
[2-(4-fluorophenyl)-2-oxoethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 41215477
methyl 2-[[(Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]benzoate
CID 24684522
(Z)-N-(3,5-dimethoxyphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 18227034
propan-2-yl 3-[[(E)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoyl]amino]propanoate
CID 134037138
[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 41215853
naphthalen-1-ylmethyl (Z)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enoate
CID 18269696
(Z)-N-(4-bromo-3-methylphenyl)-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)prop-2-enamide
CID 24661294

Frequently Asked Questions

What is the IUPAC name of (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide?
The IUPAC name of (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide (CID 134061444) is (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide.
What is the SMILES notation for (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide?
The canonical SMILES for (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide is CCN(CCC(F)(F)F)C(=O)/C(=C\c1ccco1)n1nnnc1-c1ccccc1.
What is the InChIKey of (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide?
The InChIKey is MZKRCOHUXHXNQP-DTQAZKPQSA-N. The full InChI is InChI=1S/C19H18F3N5O2/c1-2-26(11-10-19(20,21)22)18(28)16(13-15-9-6-12-29-15)27-17(23-24-25-27)14-7-4-3-5-8-14/h3-9,12-13H,2,10-11H2,1H3/b16-13+.
What are the key properties of (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide?
(E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide has a molecular weight of 405.38 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-ethyl-3-(furan-2-yl)-2-(5-phenyltetrazol-1-yl)-N-(3,3,3-trifluoropropyl)prop-2-enamide is sourced from PubChem (CID 134061444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).