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

C15H20N4O2 — CID 22586742

IUPAC(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1cc(C2CCCN2C(=O)c2ccnn2C)no1
InChIInChI=1S/C15H20N4O2/c1-3-5-11-10-12(17-21-11)13-6-4-9-19(13)15(20)14-7-8-16-18(14)2/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyAKUYLFFJJBNUKI-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.34
Rot. Bonds4

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

(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 22586742) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID22586742
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCCCc1cc(C2CCCN2C(=O)c2ccnn2C)no1
InChIInChI=1S/C15H20N4O2/c1-3-5-11-10-12(17-21-11)13-6-4-9-19(13)15(20)14-7-8-16-18(14)2/h7-8,10,13H,3-6,9H2,1-2H3
InChIKeyAKUYLFFJJBNUKI-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 22586742) is (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is CCCc1cc(C2CCCN2C(=O)c2ccnn2C)no1.
What is the InChIKey of (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is AKUYLFFJJBNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-5-11-10-12(17-21-11)13-6-4-9-19(13)15(20)14-7-8-16-18(14)2/h7-8,10,13H,3-6,9H2,1-2H3.
What are the key properties of (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 288.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylpyrazol-3-yl)-[2-(5-propyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 22586742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).