[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone

C15H16N2O3 — CID 16949896

IUPAC[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-4-11(5-7-12)13-10-16-14(20-13)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3
InChIKeyZGHXGAHKRWOAFV-UHFFFAOYSA-N
MW272.30 g/mol
LogP2.59
Rot. Bonds3

About [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone

[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 16949896) has the molecular formula C15H16N2O3 and a molecular weight of 272.30 g/mol. Its IUPAC name is [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID16949896
Molecular FormulaC15H16N2O3
Molecular Weight272.30 g/mol
Exact Mass272.12
IUPAC Name[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1
InChIInChI=1S/C15H16N2O3/c1-19-12-6-4-11(5-7-12)13-10-16-14(20-13)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3
InChIKeyZGHXGAHKRWOAFV-UHFFFAOYSA-N
XLogP2.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.30
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methoxyphenyl)furan-2-yl]-pyrrolidin-1-ylmethanone
CID 53015377
(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
1-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]piperidine-4-carboxylic acid
CID 119907230
N-benzyl-5-(4-methoxyphenyl)-1,3-oxazole-2-carboxamide
CID 16949912
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]benzoic acid
CID 58804845
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 86867799
[2-(4-methoxyanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249327
[2-amino-6-(4-methoxyphenyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 83571284
3,4-dihydro-1H-isoquinolin-2-yl-[2-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]phenyl]methanone
CID 100503279
2-bromo-5-(4-methoxyphenyl)-1,3-oxazole
CID 117259601

Frequently Asked Questions

What is the IUPAC name of [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone (CID 16949896) is [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2cnc(C(=O)N3CCCC3)o2)cc1.
What is the InChIKey of [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZGHXGAHKRWOAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3/c1-19-12-6-4-11(5-7-12)13-10-16-14(20-13)15(18)17-8-2-3-9-17/h4-7,10H,2-3,8-9H2,1H3.
What are the key properties of [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone?
[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 272.30 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 16949896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).