(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide

C19H14N4O2 — CID 2298805

IUPAC(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C19H14N4O2/c24-19(11-9-16-7-4-12-25-16)20-14-8-10-17-18(13-14)22-23(21-17)15-5-2-1-3-6-15/h1-13H,(H,20,24)/b11-9-
InChIKeyAFSRQATYLSSREW-LUAWRHEFSA-N
MW330.35 g/mol
LogP3.67
Rot. Bonds4

About (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide

(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide (PubChem CID 2298805) has the molecular formula C19H14N4O2 and a molecular weight of 330.35 g/mol. Its IUPAC name is (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide.

Molecular Properties

Compound Name(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
PubChem CID2298805
Molecular FormulaC19H14N4O2
Molecular Weight330.35 g/mol
Exact Mass330.11
IUPAC Name(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide
SMILESO=C(/C=C\c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1
InChIInChI=1S/C19H14N4O2/c24-19(11-9-16-7-4-12-25-16)20-14-8-10-17-18(13-14)22-23(21-17)15-5-2-1-3-6-15/h1-13H,(H,20,24)/b11-9-
InChIKeyAFSRQATYLSSREW-LUAWRHEFSA-N
XLogP3.67
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-ethylphenyl)benzotriazol-5-yl]-3-(furan-2-yl)prop-2-enamide
CID 1329870
(E)-3-(furan-2-yl)-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]prop-2-enamide
CID 2298596
(E)-3-(furan-2-yl)-N-(2-naphthalen-1-ylbenzotriazol-5-yl)prop-2-enamide
CID 1047504
4-oxo-4-[(2-phenylbenzotriazol-5-yl)amino]but-2-enoate
CID 6935967
3-[[(E)-3-(furan-2-yl)prop-2-enoyl]amino]benzoic acid
CID 748204
3-(furan-2-yl)-N-(2-phenyl-1,3-benzoxazol-5-yl)prop-2-enamide
CID 727013
3-(furan-2-yl)-N-phenylprop-2-enamide
CID 578025
(E)-N-(3-bromophenyl)-3-(furan-2-yl)prop-2-enamide
CID 963809
(E)-3-(furan-2-yl)-N-[2-(2-methylphenyl)-1,3-benzoxazol-5-yl]prop-2-enamide
CID 782263
(E)-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-3-phenylprop-2-enamide
CID 1370083
(E)-3-(furan-2-yl)-N-(2-methyl-1,3-benzothiazol-6-yl)prop-2-enamide
CID 6214246
(E)-3-(furan-2-yl)-N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)prop-2-enamide
CID 6248311

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide?
The IUPAC name of (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide (CID 2298805) is (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide.
What is the SMILES notation for (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide?
The canonical SMILES for (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide is O=C(/C=C\c1ccco1)Nc1ccc2nn(-c3ccccc3)nc2c1.
What is the InChIKey of (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide?
The InChIKey is AFSRQATYLSSREW-LUAWRHEFSA-N. The full InChI is InChI=1S/C19H14N4O2/c24-19(11-9-16-7-4-12-25-16)20-14-8-10-17-18(13-14)22-23(21-17)15-5-2-1-3-6-15/h1-13H,(H,20,24)/b11-9-.
What are the key properties of (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide?
(Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide has a molecular weight of 330.35 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(furan-2-yl)-N-(2-phenylbenzotriazol-5-yl)prop-2-enamide is sourced from PubChem (CID 2298805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).