[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

C16H18N2O2 — CID 71917445

IUPAC[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2ccon2)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-6-12(2)13(10-11)15-4-3-8-18(15)16(19)14-7-9-20-17-14/h5-7,9-10,15H,3-4,8H2,1-2H3
InChIKeyQCRPLDKMKGVHOY-UHFFFAOYSA-N
MW270.33 g/mol
LogP3.27
Rot. Bonds2

About [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone

[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (PubChem CID 71917445) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
PubChem CID71917445
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
SMILESCc1ccc(C)c(C2CCCN2C(=O)c2ccon2)c1
InChIInChI=1S/C16H18N2O2/c1-11-5-6-12(2)13(10-11)15-4-3-8-18(15)16(19)14-7-9-20-17-14/h5-7,9-10,15H,3-4,8H2,1-2H3
InChIKeyQCRPLDKMKGVHOY-UHFFFAOYSA-N
XLogP3.27
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-[2-(2-methylpropyl)pyrazol-3-yl]methanone
CID 138058613
[(2S)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 124566567
1-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-2-(methylamino)ethanone
CID 83625368
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 136515149
1-[4-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 139007333
2-[5-[2-(2,5-dimethylphenyl)pyrrolidine-1-carbonyl]-2-oxo-1-pyridinyl]acetamide
CID 110246981
2-(2,5-dimethylphenyl)piperidine-1-carbothioamide
CID 141244951
2-[2-(2-methylphenyl)pyrrolidine-1-carbonyl]pyridine-4-carboxylic acid
CID 122055195
5-[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-3,3-difluoro-5-oxopentanoic acid
CID 166288514
[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone
CID 79543848
[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 50809277
(2S)-1-(1,2-oxazole-3-carbonyl)piperidine-2-carboxylic acid
CID 66263273

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The IUPAC name of [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone (CID 71917445) is [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The canonical SMILES for [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is Cc1ccc(C)c(C2CCCN2C(=O)c2ccon2)c1.
What is the InChIKey of [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
The InChIKey is QCRPLDKMKGVHOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-5-6-12(2)13(10-11)15-4-3-8-18(15)16(19)14-7-9-20-17-14/h5-7,9-10,15H,3-4,8H2,1-2H3.
What are the key properties of [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone?
[2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone has a molecular weight of 270.33 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dimethylphenyl)pyrrolidin-1-yl]-(1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 71917445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).