(3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide

C20H21N5O4 — CID 99806905

IUPAC(3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n[nH]2)cc1
InChIInChI=1S/C20H21N5O4/c1-28-15-6-4-13(5-7-15)9-17-21-20(24-23-17)22-19(27)14-10-18(26)25(11-14)12-16-3-2-8-29-16/h2-8,14H,9-12H2,1H3,(H2,21,22,23,24,27)/t14-/m1/s1
InChIKeyJPTZDYGWFVLXPZ-CQSZACIVSA-N
MW395.42 g/mol
LogP1.98
Rot. Bonds7

About (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 99806905) has the molecular formula C20H21N5O4 and a molecular weight of 395.42 g/mol. Its IUPAC name is (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID99806905
Molecular FormulaC20H21N5O4
Molecular Weight395.42 g/mol
Exact Mass395.16
IUPAC Name(3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(Cc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n[nH]2)cc1
InChIInChI=1S/C20H21N5O4/c1-28-15-6-4-13(5-7-15)9-17-21-20(24-23-17)22-19(27)14-10-18(26)25(11-14)12-16-3-2-8-29-16/h2-8,14H,9-12H2,1H3,(H2,21,22,23,24,27)/t14-/m1/s1
InChIKeyJPTZDYGWFVLXPZ-CQSZACIVSA-N
XLogP1.98
TPSA113.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.42
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(3S)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 97265889
1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
methyl 2-[[(3R)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carbonyl]amino]-5-methyl-1,3-thiazole-4-carboxylate
CID 97264226
1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321
methyl (3S)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxylate
CID 42579834
N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
N-(2,6-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 113183148
(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9398778
1-(furan-2-ylmethyl)-5-oxo-N-(4-pyrimidin-2-yloxyphenyl)pyrrolidine-3-carboxamide
CID 55920995
1-(furan-2-ylmethyl)-4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 51148502
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42908533

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide (CID 99806905) is (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(Cc2nc(NC(=O)[C@@H]3CC(=O)N(Cc4ccco4)C3)n[nH]2)cc1.
What is the InChIKey of (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is JPTZDYGWFVLXPZ-CQSZACIVSA-N. The full InChI is InChI=1S/C20H21N5O4/c1-28-15-6-4-13(5-7-15)9-17-21-20(24-23-17)22-19(27)14-10-18(26)25(11-14)12-16-3-2-8-29-16/h2-8,14H,9-12H2,1H3,(H2,21,22,23,24,27)/t14-/m1/s1.
What are the key properties of (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 395.42 g/mol, XLogP of 1.98, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(furan-2-ylmethyl)-N-[5-[(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 99806905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).