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

C20H20ClN5O2 — CID 133338501

IUPAC1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCC(C)c1noc(-c2ccnc(NC3CCN(c4cccc(Cl)c4)C3=O)c2)n1
InChIInChI=1S/C20H20ClN5O2/c1-12(2)18-24-19(28-25-18)13-6-8-22-17(10-13)23-16-7-9-26(20(16)27)15-5-3-4-14(21)11-15/h3-6,8,10-12,16H,7,9H2,1-2H3,(H,22,23)
InChIKeyNNDZVTBAIOTLRV-UHFFFAOYSA-N
MW397.87 g/mol
LogP4.13
Rot. Bonds5

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

1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one (PubChem CID 133338501) has the molecular formula C20H20ClN5O2 and a molecular weight of 397.87 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one
PubChem CID133338501
Molecular FormulaC20H20ClN5O2
Molecular Weight397.87 g/mol
Exact Mass397.13
IUPAC Name1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one
SMILESCC(C)c1noc(-c2ccnc(NC3CCN(c4cccc(Cl)c4)C3=O)c2)n1
InChIInChI=1S/C20H20ClN5O2/c1-12(2)18-24-19(28-25-18)13-6-8-22-17(10-13)23-16-7-9-26(20(16)27)15-5-3-4-14(21)11-15/h3-6,8,10-12,16H,7,9H2,1-2H3,(H,22,23)
InChIKeyNNDZVTBAIOTLRV-UHFFFAOYSA-N
XLogP4.13
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.87
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
1-(4-bromo-3-methylphenyl)-3-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)amino]pyrrolidin-2-one
CID 133475308
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
N-[(2S,3R)-2-ethyloxolan-3-yl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 154800103
N-(1-cyclobutylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133417791
N-[(5-chloro-2-methoxyphenyl)methyl]-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133317454
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238351
5-[2-(4-ethenylpiperidin-1-yl)-4-pyridinyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 133321766
1-(3-chlorophenyl)-3-[(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]pyrrolidin-2-one
CID 133338490
N-(2-piperidin-1-ylethyl)-4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133316709
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]amino]-7-propyl-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 133338426
1-(3-chlorophenyl)-3-[[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]amino]pyrrolidin-2-one
CID 133338513

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one (CID 133338501) is 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one is CC(C)c1noc(-c2ccnc(NC3CCN(c4cccc(Cl)c4)C3=O)c2)n1.
What is the InChIKey of 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one?
The InChIKey is NNDZVTBAIOTLRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN5O2/c1-12(2)18-24-19(28-25-18)13-6-8-22-17(10-13)23-16-7-9-26(20(16)27)15-5-3-4-14(21)11-15/h3-6,8,10-12,16H,7,9H2,1-2H3,(H,22,23).
What are the key properties of 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one?
1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one has a molecular weight of 397.87 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3-[[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]pyrrolidin-2-one is sourced from PubChem (CID 133338501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).