(3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide

C20H19N3O4S — CID 95095106

IUPAC(3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3cc(-c4ccc(C)s4)no3)CC2=O)cc1
InChIInChI=1S/C20H19N3O4S/c1-12-3-8-17(28-12)16-10-18(27-22-16)21-20(25)13-9-19(24)23(11-13)14-4-6-15(26-2)7-5-14/h3-8,10,13H,9,11H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyOZENSQROMCDJFD-CYBMUJFWSA-N
MW397.46 g/mol
LogP3.71
Rot. Bonds5

About (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide

(3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 95095106) has the molecular formula C20H19N3O4S and a molecular weight of 397.46 g/mol. Its IUPAC name is (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID95095106
Molecular FormulaC20H19N3O4S
Molecular Weight397.46 g/mol
Exact Mass397.11
IUPAC Name(3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1ccc(N2C[C@H](C(=O)Nc3cc(-c4ccc(C)s4)no3)CC2=O)cc1
InChIInChI=1S/C20H19N3O4S/c1-12-3-8-17(28-12)16-10-18(27-22-16)21-20(25)13-9-19(24)23(11-13)14-4-6-15(26-2)7-5-14/h3-8,10,13H,9,11H2,1-2H3,(H,21,25)/t13-/m1/s1
InChIKeyOZENSQROMCDJFD-CYBMUJFWSA-N
XLogP3.71
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-N-(4,6-dimethylpyrimidin-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 94843087
(3R)-N-[3-(furan-2-yl)-1,2-oxazol-5-yl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 95095083
(3R)-N,1-bis(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 704239
1-(4-methoxyphenyl)-5-oxo-N-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxamide
CID 2926954
(3R)-1-(4-methoxyphenyl)-N-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 974529
(3S)-N-(2,5-dimethoxyphenyl)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7033758
1-(4-methoxyphenyl)-N-[5-[1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 17204156
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
N-(4-acetamidophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2920874
(3S)-N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7369838
(3S)-1-(4-methoxyphenyl)-N-(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 7483767
(3R)-N-(3,5-difluorophenyl)-1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 7258686

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide (CID 95095106) is (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide is COc1ccc(N2C[C@H](C(=O)Nc3cc(-c4ccc(C)s4)no3)CC2=O)cc1.
What is the InChIKey of (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is OZENSQROMCDJFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H19N3O4S/c1-12-3-8-17(28-12)16-10-18(27-22-16)21-20(25)13-9-19(24)23(11-13)14-4-6-15(26-2)7-5-14/h3-8,10,13H,9,11H2,1-2H3,(H,21,25)/t13-/m1/s1.
What are the key properties of (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide?
(3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4-methoxyphenyl)-N-[3-(5-methylthiophen-2-yl)-1,2-oxazol-5-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 95095106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).