N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide

C14H14N4O4 — CID 119101079

IUPACN-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)(c2ccoc2)c2ccco2)nn1
InChIInChI=1S/C14H14N4O4/c1-18-7-11(16-17-18)13(19)15-9-14(20,10-4-6-21-8-10)12-3-2-5-22-12/h2-8,20H,9H2,1H3,(H,15,19)
InChIKeyNGFBPZDJKWCHED-UHFFFAOYSA-N
MW302.29 g/mol
LogP0.67
Rot. Bonds5

About N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide

N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide (PubChem CID 119101079) has the molecular formula C14H14N4O4 and a molecular weight of 302.29 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
PubChem CID119101079
Molecular FormulaC14H14N4O4
Molecular Weight302.29 g/mol
Exact Mass302.10
IUPAC NameN-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide
SMILESCn1cc(C(=O)NCC(O)(c2ccoc2)c2ccco2)nn1
InChIInChI=1S/C14H14N4O4/c1-18-7-11(16-17-18)13(19)15-9-14(20,10-4-6-21-8-10)12-3-2-5-22-12/h2-8,20H,9H2,1H3,(H,15,19)
InChIKeyNGFBPZDJKWCHED-UHFFFAOYSA-N
XLogP0.67
TPSA106.32 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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]furan-2-carboxamide
CID 119101056
5-chloro-N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]thiophene-2-carboxamide
CID 129354558
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1,3-benzodioxole-5-carboxamide
CID 129355354
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-4-thiophen-3-ylbenzamide
CID 129354528
1-methyl-N-[(2S)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873773
1-methyl-N-[(2R)-3,3,3-trifluoro-2-hydroxy-2-phenylpropyl]triazole-4-carboxamide
CID 99873774
N-[2-(furan-2-yl)-2-hydroxy-2-thiophen-3-ylethyl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 119101108
(E)-N-[(2S)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-2-ylprop-2-enamide
CID 129355308
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-3-thiophen-3-ylprop-2-enamide
CID 171137083
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
CID 119101083
N-[(2R)-2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]cyclopropanesulfonamide
CID 129354602

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide?
The IUPAC name of N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide (CID 119101079) is N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide is Cn1cc(C(=O)NCC(O)(c2ccoc2)c2ccco2)nn1.
What is the InChIKey of N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide?
The InChIKey is NGFBPZDJKWCHED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O4/c1-18-7-11(16-17-18)13(19)15-9-14(20,10-4-6-21-8-10)12-3-2-5-22-12/h2-8,20H,9H2,1H3,(H,15,19).
What are the key properties of N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide?
N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide has a molecular weight of 302.29 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-(furan-3-yl)-2-hydroxyethyl]-1-methyltriazole-4-carboxamide is sourced from PubChem (CID 119101079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).