5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

C15H16ClN3O3 — CID 68768371

IUPAC5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCC(C)Oc1ccc(-c2noc(C3CCC(=O)N3)n2)cc1Cl
InChIInChI=1S/C15H16ClN3O3/c1-8(2)21-12-5-3-9(7-10(12)16)14-18-15(22-19-14)11-4-6-13(20)17-11/h3,5,7-8,11H,4,6H2,1-2H3,(H,17,20)
InChIKeyPAWZVPOKTHCDII-UHFFFAOYSA-N
MW321.76 g/mol
LogP3.13
Rot. Bonds4

About 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one

5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (PubChem CID 68768371) has the molecular formula C15H16ClN3O3 and a molecular weight of 321.76 g/mol. Its IUPAC name is 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
PubChem CID68768371
Molecular FormulaC15H16ClN3O3
Molecular Weight321.76 g/mol
Exact Mass321.09
IUPAC Name5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
SMILESCC(C)Oc1ccc(-c2noc(C3CCC(=O)N3)n2)cc1Cl
InChIInChI=1S/C15H16ClN3O3/c1-8(2)21-12-5-3-9(7-10(12)16)14-18-15(22-19-14)11-4-6-13(20)17-11/h3,5,7-8,11H,4,6H2,1-2H3,(H,17,20)
InChIKeyPAWZVPOKTHCDII-UHFFFAOYSA-N
XLogP3.13
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.76
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-propan-2-yloxyphenyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 59556697
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(2H-pyrrol-5-yl)-1,2,4-oxadiazole
CID 71094123
1-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 58404573
3-(3-chloro-4-propan-2-yloxyphenyl)-5-[1-(2,4-dichlorophenyl)cyclopropyl]-1,2,4-oxadiazole
CID 59556738
methyl (2R)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylate
CID 67234551
3-(3-chloro-4-propan-2-yloxyphenyl)-5-(3,3,3-trifluoropropyl)-1,2,4-oxadiazole
CID 68771112
methyl (E)-3-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]prop-2-enoate
CID 67231102
5-[4-(azetidin-1-ylmethyl)phenyl]-3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 141206756
cis-(1R,2S)-2-[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]anilino]cyclopentane-1-carboxylic acid
CID 53246676
5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]isoindole-2-carboxylic acid
CID 67230085
3-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]benzonitrile
CID 59556739
trans-(1S,2S)-2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclopentane-1-carboxylic acid;trans-(1R,2R)-2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclopentane-1-carboxylic acid;trans-methyl (1S,2S)-2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclopentane-1-carboxylate;trans-methyl (1R,2R)-2-[[4-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methyl]cyclopentane-1-carboxylate
CID 159467617

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The IUPAC name of 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one (CID 68768371) is 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is CC(C)Oc1ccc(-c2noc(C3CCC(=O)N3)n2)cc1Cl.
What is the InChIKey of 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
The InChIKey is PAWZVPOKTHCDII-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O3/c1-8(2)21-12-5-3-9(7-10(12)16)14-18-15(22-19-14)11-4-6-13(20)17-11/h3,5,7-8,11H,4,6H2,1-2H3,(H,17,20).
What are the key properties of 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one?
5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one has a molecular weight of 321.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-chloro-4-propan-2-yloxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one is sourced from PubChem (CID 68768371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).