[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

C13H16N4O2 — CID 47212819

IUPAC[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc(C2CCCN2C(=O)c2cnn(C)c2)on1
InChIInChI=1S/C13H16N4O2/c1-9-6-12(19-15-9)11-4-3-5-17(11)13(18)10-7-14-16(2)8-10/h6-8,11H,3-5H2,1-2H3
InChIKeyYNLBZFLHYKMWHC-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.69
Rot. Bonds2

About [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone

[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (PubChem CID 47212819) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
PubChem CID47212819
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone
SMILESCc1cc(C2CCCN2C(=O)c2cnn(C)c2)on1
InChIInChI=1S/C13H16N4O2/c1-9-6-12(19-15-9)11-4-3-5-17(11)13(18)10-7-14-16(2)8-10/h6-8,11H,3-5H2,1-2H3
InChIKeyYNLBZFLHYKMWHC-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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Frequently Asked Questions

What is the IUPAC name of [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The IUPAC name of [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone (CID 47212819) is [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone.
What is the SMILES notation for [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The canonical SMILES for [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is Cc1cc(C2CCCN2C(=O)c2cnn(C)c2)on1.
What is the InChIKey of [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
The InChIKey is YNLBZFLHYKMWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-6-12(19-15-9)11-4-3-5-17(11)13(18)10-7-14-16(2)8-10/h6-8,11H,3-5H2,1-2H3.
What are the key properties of [2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone?
[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-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-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]-(1-methylpyrazol-4-yl)methanone is sourced from PubChem (CID 47212819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).