1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one

C16H19BrN4O2 — CID 133475308

IUPAC1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCc1cc(N2CCC(Nc3nc(C(C)C)no3)C2=O)ccc1Br
InChIInChI=1S/C16H19BrN4O2/c1-9(2)14-19-16(23-20-14)18-13-6-7-21(15(13)22)11-4-5-12(17)10(3)8-11/h4-5,8-9,13H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyBSOJCWCDHLKWQL-UHFFFAOYSA-N
MW379.26 g/mol
LogP3.48
Rot. Bonds4

About 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one

1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one (PubChem CID 133475308) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one
PubChem CID133475308
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one
SMILESCc1cc(N2CCC(Nc3nc(C(C)C)no3)C2=O)ccc1Br
InChIInChI=1S/C16H19BrN4O2/c1-9(2)14-19-16(23-20-14)18-13-6-7-21(15(13)22)11-4-5-12(17)10(3)8-11/h4-5,8-9,13H,6-7H2,1-3H3,(H,18,19,20)
InChIKeyBSOJCWCDHLKWQL-UHFFFAOYSA-N
XLogP3.48
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-bromo-3-methylphenyl)-3-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]pyrrolidin-2-one
CID 133475288
1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one
CID 133338501
1-[2-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)urea
CID 167874097
1-(3-bromo-4,5-dimethylphenyl)-3-(methylamino)pyrrolidin-2-one
CID 54047309
1-(4-bromo-3-methylphenyl)-3-propan-2-ylpiperazine-2,5-dione
CID 64962128
10-(4-bromo-3-methylphenyl)-4,10-diazatricyclo[5.2.1.02,6]decane-3,5-dione
CID 142660493
3-(4-bromo-3-methylphenyl)-2-oxo-1,3-oxazinane-6-carbonitrile
CID 117010516
3-(4-bromo-3-methylphenyl)-1,3-oxazolidin-2-one
CID 66817851
2-(4-bromo-3-methylphenyl)-3,4,7,8,9,9a-hexahydropyrrolo[1,2-a][1,4]diazepine-1,5-dione
CID 79944757
1-[1-(3,4-dimethylphenyl)-2-oxopyrrolidin-3-yl]-3-(2-methylpropyl)urea
CID 71838793
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]cyclohexyl]pyrrolidine-2,5-dione
CID 133417574
1-(3,4-dichlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 54353900

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one (CID 133475308) is 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one is Cc1cc(N2CCC(Nc3nc(C(C)C)no3)C2=O)ccc1Br.
What is the InChIKey of 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one?
The InChIKey is BSOJCWCDHLKWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c1-9(2)14-19-16(23-20-14)18-13-6-7-21(15(13)22)11-4-5-12(17)10(3)8-11/h4-5,8-9,13H,6-7H2,1-3H3,(H,18,19,20).
What are the key properties of 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one?
1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one has a molecular weight of 379.26 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133475308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).