2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

C15H25N3O2 — CID 50808744

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1C1CCCN1C(=O)NCCC(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)7-8-16-15(19)18-9-5-6-13(18)14-11(3)17-20-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,19)
InChIKeySEUFDZHRIZNHCB-UHFFFAOYSA-N
MW279.38 g/mol
LogP3.18
Rot. Bonds4

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide (PubChem CID 50808744) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
PubChem CID50808744
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1C1CCCN1C(=O)NCCC(C)C
InChIInChI=1S/C15H25N3O2/c1-10(2)7-8-16-15(19)18-9-5-6-13(18)14-11(3)17-20-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,19)
InChIKeySEUFDZHRIZNHCB-UHFFFAOYSA-N
XLogP3.18
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide (CID 50808744) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide is Cc1noc(C)c1C1CCCN1C(=O)NCCC(C)C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
The InChIKey is SEUFDZHRIZNHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-10(2)7-8-16-15(19)18-9-5-6-13(18)14-11(3)17-20-12(14)4/h10,13H,5-9H2,1-4H3,(H,16,19).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide has a molecular weight of 279.38 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylbutyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50808744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).