1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

C18H17N5O4S — CID 52992827

IUPAC1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3nnc(-c4csc(C)n4)o3)CC2=O)c1
InChIInChI=1S/C18H17N5O4S/c1-10-19-14(9-28-10)17-21-22-18(27-17)20-16(25)11-6-15(24)23(8-11)12-4-3-5-13(7-12)26-2/h3-5,7,9,11H,6,8H2,1-2H3,(H,20,22,25)
InChIKeyBWTUWMMXRRJHFO-UHFFFAOYSA-N
MW399.43 g/mol
LogP2.50
Rot. Bonds5

About 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (PubChem CID 52992827) has the molecular formula C18H17N5O4S and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
PubChem CID52992827
Molecular FormulaC18H17N5O4S
Molecular Weight399.43 g/mol
Exact Mass399.10
IUPAC Name1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3nnc(-c4csc(C)n4)o3)CC2=O)c1
InChIInChI=1S/C18H17N5O4S/c1-10-19-14(9-28-10)17-21-22-18(27-17)20-16(25)11-6-15(24)23(8-11)12-4-3-5-13(7-12)26-2/h3-5,7,9,11H,6,8H2,1-2H3,(H,20,22,25)
InChIKeyBWTUWMMXRRJHFO-UHFFFAOYSA-N
XLogP2.50
TPSA110.45 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.43
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 22051485
methyl 4-[2-[[1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxylate
CID 42947384
N-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 45495950
(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
N-[4-(diethylamino)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 113188154
(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
CID 1260283
(3S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388341
(3S)-N-(1,3-benzodioxol-5-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388404
(3S)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9388317
(3R)-1-(3-methoxyphenyl)-N-[3-(5-methylpyrazol-1-yl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 52537693
(3R)-1-(3-methoxyphenyl)-N-[5-[2-(4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide
CID 41145410

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide (CID 52992827) is 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3nnc(-c4csc(C)n4)o3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
The InChIKey is BWTUWMMXRRJHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O4S/c1-10-19-14(9-28-10)17-21-22-18(27-17)20-16(25)11-6-15(24)23(8-11)12-4-3-5-13(7-12)26-2/h3-5,7,9,11H,6,8H2,1-2H3,(H,20,22,25).
What are the key properties of 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide has a molecular weight of 399.43 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-N-[5-(2-methyl-1,3-thiazol-4-yl)-1,3,4-oxadiazol-2-yl]-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 52992827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).