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

C13H16N4O2 — CID 22586640

IUPAC[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cc(C2CCCN2C(=O)c2ccn(C)n2)no1
InChIInChI=1S/C13H16N4O2/c1-9-8-11(15-19-9)12-4-3-6-17(12)13(18)10-5-7-16(2)14-10/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyVIOQMUDKUGMSCZ-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.69
Rot. Bonds2

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

[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (PubChem CID 22586640) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
PubChem CID22586640
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
SMILESCc1cc(C2CCCN2C(=O)c2ccn(C)n2)no1
InChIInChI=1S/C13H16N4O2/c1-9-8-11(15-19-9)12-4-3-6-17(12)13(18)10-5-7-16(2)14-10/h5,7-8,12H,3-4,6H2,1-2H3
InChIKeyVIOQMUDKUGMSCZ-UHFFFAOYSA-N
XLogP1.69
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-1-{2-[5-(propan-2-YL)-1,2-oxazol-3-YL]pyrrolidin-1-YL}ethan-1-one
CID 22586679
1-[2-(5-Methyl-1,2-oxazol-3-YL)pyrrolidin-1-YL]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]ethan-1-one
CID 22586627
5-Methyl-3-{1-[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-YL}-1,2-oxazole
CID 22586645
[2-(5-methyl-3-isoxazolyl)-1-pyrrolidinyl][1-methyl-5-(trifluoromethyl)-1H-pyrazol-3-yl]methanone
CID 22586646
3-{1-[1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-YL}-5-(propan-2-YL)-1,2-oxazole
CID 22586697
3-{1-[1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-2-YL}-5-(propan-2-YL)-1,2-oxazole
CID 22586698
3-{1-[1-Methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-YL}-5-propyl-1,2-oxazole
CID 22586749
3-{1-[1-Methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-2-YL}-5-propyl-1,2-oxazole
CID 22586750
[2-(3-Methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 47212819
5-Ethyl-3-methyl-4-{1-[1-methyl-3-(trifluoromethyl)-1H-pyrazole-5-carbonyl]pyrrolidin-2-YL}-1,2-oxazole
CID 50809139
2-[5-Methyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-1-[2-(5-propyl-1,2-oxazol-3-YL)pyrrolidin-1-YL]ethan-1-one
CID 50809148
5-Ethyl-3-methyl-4-{1-[1-methyl-5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]pyrrolidin-2-YL}-1,2-oxazole
CID 50809165

Frequently Asked Questions

What is the IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The IUPAC name of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone (CID 22586640) is [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The canonical SMILES for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is Cc1cc(C2CCCN2C(=O)c2ccn(C)n2)no1.
What is the InChIKey of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
The InChIKey is VIOQMUDKUGMSCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-8-11(15-19-9)12-4-3-6-17(12)13(18)10-5-7-16(2)14-10/h5,7-8,12H,3-4,6H2,1-2H3.
What are the key properties of [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone?
[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone has a molecular weight of 260.30 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 22586640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).