2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

C13H21N3O2 — CID 47001354

IUPAC2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)NCC(C)C)no1
InChIInChI=1S/C13H21N3O2/c1-9(2)8-14-13(17)16-6-4-5-12(16)11-7-10(3)18-15-11/h7,9,12H,4-6,8H2,1-3H3,(H,14,17)
InChIKeyLAOCMRQYKGXIBR-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.49
Rot. Bonds3

About 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide

2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 47001354) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID47001354
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1cc(C2CCCN2C(=O)NCC(C)C)no1
InChIInChI=1S/C13H21N3O2/c1-9(2)8-14-13(17)16-6-4-5-12(16)11-7-10(3)18-15-11/h7,9,12H,4-6,8H2,1-3H3,(H,14,17)
InChIKeyLAOCMRQYKGXIBR-UHFFFAOYSA-N
XLogP2.49
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 47001354) is 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is Cc1cc(C2CCCN2C(=O)NCC(C)C)no1.
What is the InChIKey of 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is LAOCMRQYKGXIBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)8-14-13(17)16-6-4-5-12(16)11-7-10(3)18-15-11/h7,9,12H,4-6,8H2,1-3H3,(H,14,17).
What are the key properties of 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-1,2-oxazol-3-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).