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

C16H19N3O2 — CID 3747520

IUPAC3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccccc1-c1noc(CCC(=O)N2CCCC2)n1
InChIInChI=1S/C16H19N3O2/c1-12-6-2-3-7-13(12)16-17-14(21-18-16)8-9-15(20)19-10-4-5-11-19/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyJLINDCKQRDEYJI-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.60
Rot. Bonds4

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

3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 3747520) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID3747520
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1ccccc1-c1noc(CCC(=O)N2CCCC2)n1
InChIInChI=1S/C16H19N3O2/c1-12-6-2-3-7-13(12)16-17-14(21-18-16)8-9-15(20)19-10-4-5-11-19/h2-3,6-7H,4-5,8-11H2,1H3
InChIKeyJLINDCKQRDEYJI-UHFFFAOYSA-N
XLogP2.60
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 90641913
1-(4-methylpiperidin-1-yl)-3-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)propan-1-one
CID 100761827
4-hydroxy-2-methyl-9-[3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]propanoyl]-2,9-diazaspiro[5.5]undecan-1-one
CID 171915730
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-1-piperidin-1-ylpropan-1-one
CID 36656689
1-(azepan-1-yl)-3-[3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 70707902
N-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]acetamide
CID 110427087
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-morpholin-4-ylpropan-1-one
CID 3721998
3-(2,5-dimethoxyphenyl)-1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]propan-1-one
CID 37091333
3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-(4-methylpiperidin-1-yl)propan-1-one
CID 5130333
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)propan-1-one
CID 110330791
1-(azepan-1-yl)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 9036823
5-(4-bromophenyl)-1-[4-[[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]pentan-1-one
CID 55853353

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one (CID 3747520) is 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one is Cc1ccccc1-c1noc(CCC(=O)N2CCCC2)n1.
What is the InChIKey of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is JLINDCKQRDEYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-6-2-3-7-13(12)16-17-14(21-18-16)8-9-15(20)19-10-4-5-11-19/h2-3,6-7H,4-5,8-11H2,1H3.
What are the key properties of 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one?
3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 285.35 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 3747520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).