(3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide

C20H19N3O4 — CID 41200996

IUPAC(3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)on2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-4-6-14(7-5-13)17-10-18(27-22-17)21-20(25)15-9-19(24)23(11-15)12-16-3-2-8-26-16/h2-8,10,15H,9,11-12H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyKVXWJKSXXXNIMM-HNNXBMFYSA-N
MW365.39 g/mol
LogP3.23
Rot. Bonds5

About (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide

(3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 41200996) has the molecular formula C20H19N3O4 and a molecular weight of 365.39 g/mol. Its IUPAC name is (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID41200996
Molecular FormulaC20H19N3O4
Molecular Weight365.39 g/mol
Exact Mass365.14
IUPAC Name(3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCc1ccc(-c2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)on2)cc1
InChIInChI=1S/C20H19N3O4/c1-13-4-6-14(7-5-13)17-10-18(27-22-17)21-20(25)15-9-19(24)23(11-15)12-16-3-2-8-26-16/h2-8,10,15H,9,11-12H2,1H3,(H,21,25)/t15-/m0/s1
InChIKeyKVXWJKSXXXNIMM-HNNXBMFYSA-N
XLogP3.23
TPSA88.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,5-dimethylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 42909280
(3R)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95095083
1-(furan-2-ylmethyl)-N-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2998321
1-(furan-2-ylmethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 47099759
(3S)-N-(4-bromo-3-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9095963
(3R)-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 9398778
N-(3-acetamidophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 51149894
1-(furan-2-ylmethyl)-N-[2-(4-methylphenoxy)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 42908533
1-(furan-2-ylmethyl)-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 4880978
1-(furan-2-ylmethyl)-N-(2-methylsulfanylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 78768111
(3S)-N-(4-fluoro-2-methylphenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 8864389
N-(3,5-dichlorophenyl)-1-(furan-2-ylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 55341921

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide (CID 41200996) is (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide is Cc1ccc(-c2cc(NC(=O)[C@H]3CC(=O)N(Cc4ccco4)C3)on2)cc1.
What is the InChIKey of (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is KVXWJKSXXXNIMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H19N3O4/c1-13-4-6-14(7-5-13)17-10-18(27-22-17)21-20(25)15-9-19(24)23(11-15)12-16-3-2-8-26-16/h2-8,10,15H,9,11-12H2,1H3,(H,21,25)/t15-/m0/s1.
What are the key properties of (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
(3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 365.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(furan-2-ylmethyl)-N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 41200996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).