1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea

C24H27N5O3 — CID 92868286

IUPAC1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea
SMILESCc1ccc(N2C[C@H](c3nc(-c4cccc(NC(=O)NCC(C)C)c4)no3)CC2=O)cc1
InChIInChI=1S/C24H27N5O3/c1-15(2)13-25-24(31)26-19-6-4-5-17(11-19)22-27-23(32-28-22)18-12-21(30)29(14-18)20-9-7-16(3)8-10-20/h4-11,15,18H,12-14H2,1-3H3,(H2,25,26,31)/t18-/m1/s1
InChIKeyXNJQEWIMXMLVMR-GOSISDBHSA-N
MW433.51 g/mol
LogP4.34
Rot. Bonds6

About 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea

1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea (PubChem CID 92868286) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea.

Molecular Properties

Compound Name1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea
PubChem CID92868286
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea
SMILESCc1ccc(N2C[C@H](c3nc(-c4cccc(NC(=O)NCC(C)C)c4)no3)CC2=O)cc1
InChIInChI=1S/C24H27N5O3/c1-15(2)13-25-24(31)26-19-6-4-5-17(11-19)22-27-23(32-28-22)18-12-21(30)29(14-18)20-9-7-16(3)8-10-20/h4-11,15,18H,12-14H2,1-3H3,(H2,25,26,31)/t18-/m1/s1
InChIKeyXNJQEWIMXMLVMR-GOSISDBHSA-N
XLogP4.34
TPSA100.36 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 54.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-[3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746374
(4R)-4-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586046
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(3S)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 92746342
N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 46292736
(4R)-1-(4-fluorophenyl)-4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41015858
(4S)-4-[3-[3-(2-ethylpyrazol-3-yl)phenyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95094188
(4R)-1-(4-fluorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 41014908
(4R)-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42586048
N-ethyl-4-[4-[5-[(3S)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]piperazine-1-carboxamide
CID 92888836
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
4-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 42891589

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea?
The IUPAC name of 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea (CID 92868286) is 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea.
What is the SMILES notation for 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea?
The canonical SMILES for 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea is Cc1ccc(N2C[C@H](c3nc(-c4cccc(NC(=O)NCC(C)C)c4)no3)CC2=O)cc1.
What is the InChIKey of 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea?
The InChIKey is XNJQEWIMXMLVMR-GOSISDBHSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15(2)13-25-24(31)26-19-6-4-5-17(11-19)22-27-23(32-28-22)18-12-21(30)29(14-18)20-9-7-16(3)8-10-20/h4-11,15,18H,12-14H2,1-3H3,(H2,25,26,31)/t18-/m1/s1.
What are the key properties of 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea?
1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea has a molecular weight of 433.51 g/mol, XLogP of 4.34, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]phenyl]-3-(2-methylpropyl)urea is sourced from PubChem (CID 92868286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).