N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide

C18H20N4O4 — CID 97145472

IUPACN-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(Cn2cc(-c3ccc([C@H]4CCCCO4)o3)nn2)o1
InChIInChI=1S/C18H20N4O4/c1-19-18(23)17-6-5-12(25-17)10-22-11-13(20-21-22)14-7-8-16(26-14)15-4-2-3-9-24-15/h5-8,11,15H,2-4,9-10H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyGSIJGHNOJMJVRM-OAHLLOKOSA-N
MW356.38 g/mol
LogP2.78
Rot. Bonds5

About N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide

N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide (PubChem CID 97145472) has the molecular formula C18H20N4O4 and a molecular weight of 356.38 g/mol. Its IUPAC name is N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide
PubChem CID97145472
Molecular FormulaC18H20N4O4
Molecular Weight356.38 g/mol
Exact Mass356.15
IUPAC NameN-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide
SMILESCNC(=O)c1ccc(Cn2cc(-c3ccc([C@H]4CCCCO4)o3)nn2)o1
InChIInChI=1S/C18H20N4O4/c1-19-18(23)17-6-5-12(25-17)10-22-11-13(20-21-22)14-7-8-16(26-14)15-4-2-3-9-24-15/h5-8,11,15H,2-4,9-10H2,1H3,(H,19,23)/t15-/m1/s1
InChIKeyGSIJGHNOJMJVRM-OAHLLOKOSA-N
XLogP2.78
TPSA95.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.38
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide?
The IUPAC name of N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide (CID 97145472) is N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide.
What is the SMILES notation for N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide?
The canonical SMILES for N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide is CNC(=O)c1ccc(Cn2cc(-c3ccc([C@H]4CCCCO4)o3)nn2)o1.
What is the InChIKey of N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide?
The InChIKey is GSIJGHNOJMJVRM-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H20N4O4/c1-19-18(23)17-6-5-12(25-17)10-22-11-13(20-21-22)14-7-8-16(26-14)15-4-2-3-9-24-15/h5-8,11,15H,2-4,9-10H2,1H3,(H,19,23)/t15-/m1/s1.
What are the key properties of N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide?
N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide has a molecular weight of 356.38 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[[4-[5-[(2R)-oxan-2-yl]furan-2-yl]triazol-1-yl]methyl]furan-2-carboxamide is sourced from PubChem (CID 97145472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).