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

C16H16N4O3 — CID 126854868

IUPACN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)c2ccc(-c3ccco3)cc2)nn1
InChIInChI=1S/C16H16N4O3/c1-20-10-13(18-19-20)16(22)17-9-14(21)11-4-6-12(7-5-11)15-3-2-8-23-15/h2-8,10,14,21H,9H2,1H3,(H,17,22)
InChIKeyMRNKDONJFSMXPW-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.54
Rot. Bonds5

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

N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide (PubChem CID 126854868) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
PubChem CID126854868
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC NameN-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)c2ccc(-c3ccco3)cc2)nn1
InChIInChI=1S/C16H16N4O3/c1-20-10-13(18-19-20)16(22)17-9-14(21)11-4-6-12(7-5-11)15-3-2-8-23-15/h2-8,10,14,21H,9H2,1H3,(H,17,22)
InChIKeyMRNKDONJFSMXPW-UHFFFAOYSA-N
XLogP1.54
TPSA93.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 126850888
N-[(2S)-2-(furan-2-yl)-2-thiomorpholin-4-ylethyl]-1-methyltriazole-4-carboxamide
CID 124727618
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-N'-(1-phenylethyl)oxamide
CID 126852760
N-[2-(furan-2-yl)-2-hydroxyethyl]-1-phenyltriazole-4-carboxamide
CID 110888994
1-(4-fluorophenyl)-N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]cyclopropane-1-carboxamide
CID 126852737
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
N-[(2R)-2-(1-benzothiophen-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 100725217
6-(furan-2-yl)-N-[(2R)-2-hydroxy-2-phenylethyl]-2-methylpyridine-3-carboxamide
CID 95286219
5-(furan-2-yl)-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-1H-pyrazole-3-carboxamide
CID 111115498
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 129354788
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
CID 119101079
N-[(2R)-2-(5-chlorothiophen-2-yl)-2-methoxyethyl]-1-methyltriazole-4-carboxamide
CID 100728871

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide (CID 126854868) is N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NCC(O)c2ccc(-c3ccco3)cc2)nn1.
What is the InChIKey of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is MRNKDONJFSMXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c1-20-10-13(18-19-20)16(22)17-9-14(21)11-4-6-12(7-5-11)15-3-2-8-23-15/h2-8,10,14,21H,9H2,1H3,(H,17,22).
What are the key properties of N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide?
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 126854868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).