(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

C24H24N4O4 — CID 51963605

IUPAC(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc(C5CC5)no4)c3)CC2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-2-31-20-10-8-19(9-11-20)28-14-17(13-21(28)29)23(30)25-18-5-3-4-16(12-18)24-26-22(27-32-24)15-6-7-15/h3-5,8-12,15,17H,2,6-7,13-14H2,1H3,(H,25,30)/t17-/m0/s1
InChIKeyUMXKIQFTJHFZNR-KRWDZBQOSA-N
MW432.48 g/mol
LogP4.00
Rot. Bonds7

About (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide

(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 51963605) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID51963605
Molecular FormulaC24H24N4O4
Molecular Weight432.48 g/mol
Exact Mass432.18
IUPAC Name(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
SMILESCCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc(C5CC5)no4)c3)CC2=O)cc1
InChIInChI=1S/C24H24N4O4/c1-2-31-20-10-8-19(9-11-20)28-14-17(13-21(28)29)23(30)25-18-5-3-4-16(12-18)24-26-22(27-32-24)15-6-7-15/h3-5,8-12,15,17H,2,6-7,13-14H2,1H3,(H,25,30)/t17-/m0/s1
InChIKeyUMXKIQFTJHFZNR-KRWDZBQOSA-N
XLogP4.00
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-1-(4-methoxyphenyl)-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 92703522
1-(4-ethoxyphenyl)-5-oxo-N-[3-(1H-pyrazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 46601977
(3S)-1-(4-ethoxyphenyl)-N-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 1072645
(3R)-1-(4-ethoxyphenyl)-N-naphthalen-2-yl-5-oxopyrrolidine-3-carboxamide
CID 1088301
N-(3-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 2968748
(4R)-4-[5-(4-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 99742247
N-(4-ethoxyphenyl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 3693269
N-(4-acetamidophenyl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 3342359
(3R)-1-(4-ethoxyphenyl)-5-oxo-N-[3-(pyridin-2-ylmethoxy)phenyl]pyrrolidine-3-carboxamide
CID 38668542
(3S)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 8024266
(3R)-1-(4-ethoxyphenyl)-N-(4-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 988215
(3S)-N-(4-ethoxyphenyl)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 7325492

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide (CID 51963605) is (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is CCOc1ccc(N2C[C@@H](C(=O)Nc3cccc(-c4nc(C5CC5)no4)c3)CC2=O)cc1.
What is the InChIKey of (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is UMXKIQFTJHFZNR-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-2-31-20-10-8-19(9-11-20)28-14-17(13-21(28)29)23(30)25-18-5-3-4-16(12-18)24-26-22(27-32-24)15-6-7-15/h3-5,8-12,15,17H,2,6-7,13-14H2,1H3,(H,25,30)/t17-/m0/s1.
What are the key properties of (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide?
(3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 432.48 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)phenyl]-1-(4-ethoxyphenyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 51963605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).