1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one

C18H17ClN6O2 — CID 177371369

IUPAC1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
SMILESC[C@H](Nc1nccc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H17ClN6O2/c1-11(17-23-16(24-27-17)12-4-6-13(19)7-5-12)21-18-20-9-8-14(22-18)25-10-2-3-15(25)26/h4-9,11H,2-3,10H2,1H3,(H,20,21,22)/t11-/m0/s1
InChIKeyVAXFUADQFIKHSJ-NSHDSACASA-N
MW384.83 g/mol
LogP3.48
Rot. Bonds5

About 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one

1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one (PubChem CID 177371369) has the molecular formula C18H17ClN6O2 and a molecular weight of 384.83 g/mol. Its IUPAC name is 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
PubChem CID177371369
Molecular FormulaC18H17ClN6O2
Molecular Weight384.83 g/mol
Exact Mass384.11
IUPAC Name1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
SMILESC[C@H](Nc1nccc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1
InChIInChI=1S/C18H17ClN6O2/c1-11(17-23-16(24-27-17)12-4-6-13(19)7-5-12)21-18-20-9-8-14(22-18)25-10-2-3-15(25)26/h4-9,11H,2-3,10H2,1H3,(H,20,21,22)/t11-/m0/s1
InChIKeyVAXFUADQFIKHSJ-NSHDSACASA-N
XLogP3.48
TPSA97.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.83
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5R)-1-[2-[[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-5-methylpyrrolidin-2-one
CID 90459583
3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 89479204
(1S,4R)-2-[2-[[(1R)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-2-azabicyclo[2.2.1]heptan-3-one
CID 90459114
1-[2-[[(1S)-1-(4-pyrimidin-5-ylphenyl)ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one
CID 130284604
6-chloro-3-[1-[[4-(2-oxopyrrolidin-1-yl)pyrimidin-2-yl]amino]ethyl]-1H-quinolin-2-one
CID 146221954
3-[2-[[(1R)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273074
(4S)-3-[2-[[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 130273207
(4S)-4-propan-2-yl-3-[2-[1-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 90347641
(4S)-3-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]-6-methylpyrimidin-4-yl]-4-cyclopropyl-1,3-oxazolidin-2-one
CID 118894440
(4R)-3-[2-[1-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-hydroxyethyl]-1,3-oxazolidin-2-one
CID 90451919
[(2S)-2-hydroxypropyl] N-[2-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]carbamate
CID 118900551
(4R)-3-[2-[1-[3-(4-chloro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]ethylamino]pyrimidin-4-yl]-4-[(1R)-1-[(2-methylpropan-2-yl)oxy]ethyl]-1,3-oxazolidin-2-one
CID 90414642

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one (CID 177371369) is 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one is C[C@H](Nc1nccc(N2CCCC2=O)n1)c1nc(-c2ccc(Cl)cc2)no1.
What is the InChIKey of 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
The InChIKey is VAXFUADQFIKHSJ-NSHDSACASA-N. The full InChI is InChI=1S/C18H17ClN6O2/c1-11(17-23-16(24-27-17)12-4-6-13(19)7-5-12)21-18-20-9-8-14(22-18)25-10-2-3-15(25)26/h4-9,11H,2-3,10H2,1H3,(H,20,21,22)/t11-/m0/s1.
What are the key properties of 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one?
1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one has a molecular weight of 384.83 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(1S)-1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]amino]pyrimidin-4-yl]pyrrolidin-2-one is sourced from PubChem (CID 177371369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).