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

C15H20N4O2 — CID 56779180

IUPAC(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C15H20N4O2/c1-3-13-14(11(2)21-17-13)15(20)19-9-4-6-12(19)10-18-8-5-7-16-18/h5,7-8,12H,3-4,6,9-10H2,1-2H3
InChIKeyOPOUEKZHEHLUQI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.05
Rot. Bonds4

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

(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (PubChem CID 56779180) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
PubChem CID56779180
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone
SMILESCCc1noc(C)c1C(=O)N1CCCC1Cn1cccn1
InChIInChI=1S/C15H20N4O2/c1-3-13-14(11(2)21-17-13)15(20)19-9-4-6-12(19)10-18-8-5-7-16-18/h5,7-8,12H,3-4,6,9-10H2,1-2H3
InChIKeyOPOUEKZHEHLUQI-UHFFFAOYSA-N
XLogP2.05
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone (CID 56779180) is (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is CCc1noc(C)c1C(=O)N1CCCC1Cn1cccn1.
What is the InChIKey of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
The InChIKey is OPOUEKZHEHLUQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-13-14(11(2)21-17-13)15(20)19-9-4-6-12(19)10-18-8-5-7-16-18/h5,7-8,12H,3-4,6,9-10H2,1-2H3.
What are the key properties of (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone?
(3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone has a molecular weight of 288.35 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-5-methyl-1,2-oxazol-4-yl)-[2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56779180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).