N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide

C15H14N4O3 — CID 110888994

IUPACN-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H14N4O3/c20-13(14-7-4-8-22-14)9-16-15(21)12-10-19(18-17-12)11-5-2-1-3-6-11/h1-8,10,13,20H,9H2,(H,16,21)
InChIKeyRPWNIEFPSISQSR-UHFFFAOYSA-N
MW298.30 g/mol
LogP1.32
Rot. Bonds5

About N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide

N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide (PubChem CID 110888994) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide
PubChem CID110888994
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC NameN-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide
SMILESO=C(NCC(O)c1ccco1)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C15H14N4O3/c20-13(14-7-4-8-22-14)9-16-15(21)12-10-19(18-17-12)11-5-2-1-3-6-11/h1-8,10,13,20H,9H2,(H,16,21)
InChIKeyRPWNIEFPSISQSR-UHFFFAOYSA-N
XLogP1.32
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(furan-2-carbonylamino)phenyl]-1-phenyltriazole-4-carboxamide
CID 46576505
N-(4-hydroxybutyl)-1-phenyltriazole-4-carboxamide
CID 106843500
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-(2-phenylethyl)pyrrole-2-carboxamide
CID 110912943
methyl 2-[(1-phenyltriazole-4-carbonyl)amino]acetate
CID 43066587
N-(3-hydroxy-2,2,4-trimethylpentyl)-1-phenyltriazole-4-carboxamide
CID 109380676
N-(2-amino-2-methylpropyl)-1-phenyltriazole-4-carboxamide;hydrochloride
CID 119627298
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78867776
N-(3-hydroxy-4-methoxybutyl)-1-phenyltriazole-4-carboxamide
CID 103877146
N-[2-(2-fluorophenyl)-2-hydroxyethyl]-1-(3-methylphenyl)triazole-4-carboxamide
CID 111565581
6-[(1-phenyltriazole-4-carbonyl)amino]hexanoic acid
CID 119220200
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 126854868

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide (CID 110888994) is N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide is O=C(NCC(O)c1ccco1)c1cn(-c2ccccc2)nn1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide?
The InChIKey is RPWNIEFPSISQSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c20-13(14-7-4-8-22-14)9-16-15(21)12-10-19(18-17-12)11-5-2-1-3-6-11/h1-8,10,13,20H,9H2,(H,16,21).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide?
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide has a molecular weight of 298.30 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide is sourced from PubChem (CID 110888994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).