(E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide

C15H13N5O2 — CID 16652530

IUPAC(E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-n2cnnn2)cc1)NCc1ccco1
InChIInChI=1S/C15H13N5O2/c21-15(16-10-14-2-1-9-22-14)8-5-12-3-6-13(7-4-12)20-11-17-18-19-20/h1-9,11H,10H2,(H,16,21)/b8-5+
InChIKeyRSPUMYZEUGGNCB-VMPITWQZSA-N
MW295.30 g/mol
LogP1.58
Rot. Bonds5

About (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide

(E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide (PubChem CID 16652530) has the molecular formula C15H13N5O2 and a molecular weight of 295.30 g/mol. Its IUPAC name is (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
PubChem CID16652530
Molecular FormulaC15H13N5O2
Molecular Weight295.30 g/mol
Exact Mass295.11
IUPAC Name(E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
SMILESO=C(/C=C/c1ccc(-n2cnnn2)cc1)NCc1ccco1
InChIInChI=1S/C15H13N5O2/c21-15(16-10-14-2-1-9-22-14)8-5-12-3-6-13(7-4-12)20-11-17-18-19-20/h1-9,11H,10H2,(H,16,21)/b8-5+
InChIKeyRSPUMYZEUGGNCB-VMPITWQZSA-N
XLogP1.58
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 51.58
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

(E)-N-[(2-chlorophenyl)methyl]-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 16652528
(E)-N-(furan-2-ylmethyl)-3-[4-(2-methylpropyl)phenyl]prop-2-enamide
CID 6379903
(E)-3-(4-methylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 17011477
methyl 4-[(E)-3-[[2-(furan-2-ylmethylamino)-2-oxoethyl]amino]-3-oxoprop-1-enyl]benzoate
CID 34240809
(E)-N-(furan-2-ylmethyl)-3-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)prop-2-enamide
CID 2406222
(E)-3-(3-fluoro-4-methoxyphenyl)-N-(furan-2-ylmethyl)prop-2-enamide
CID 9034480
(E)-3-(4-propan-2-ylphenyl)-N-[4-(tetrazol-1-yl)phenyl]prop-2-enamide
CID 26728883
5-fluoro-N-(furan-2-ylmethyl)-2-(tetrazol-1-yl)benzamide
CID 42534396
N-(furan-2-ylmethyl)-3-(5-methylfuran-2-yl)prop-2-enamide
CID 873864
(E)-3-(4-methylphenyl)-1-[4-(tetrazol-1-yl)phenyl]prop-2-en-1-one
CID 155515671
N-(furan-2-ylmethyl)-3-[3-(3-nitrophenyl)-1-phenylpyrazol-4-yl]prop-2-enamide
CID 3285858
4-[[(E)-3-(4-fluorophenyl)prop-2-enoyl]amino]-N-(furan-2-ylmethyl)-1-methylpyrazole-3-carboxamide
CID 19400409

Frequently Asked Questions

What is the IUPAC name of (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide?
The IUPAC name of (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide (CID 16652530) is (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide?
The canonical SMILES for (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide is O=C(/C=C/c1ccc(-n2cnnn2)cc1)NCc1ccco1.
What is the InChIKey of (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide?
The InChIKey is RSPUMYZEUGGNCB-VMPITWQZSA-N. The full InChI is InChI=1S/C15H13N5O2/c21-15(16-10-14-2-1-9-22-14)8-5-12-3-6-13(7-4-12)20-11-17-18-19-20/h1-9,11H,10H2,(H,16,21)/b8-5+.
What are the key properties of (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide?
(E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide has a molecular weight of 295.30 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(furan-2-ylmethyl)-3-[4-(tetrazol-1-yl)phenyl]prop-2-enamide is sourced from PubChem (CID 16652530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).