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

C14H23N3O2 — CID 50808765

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1C1CCCN1C(=O)NCC(C)C
InChIInChI=1S/C14H23N3O2/c1-9(2)8-15-14(18)17-7-5-6-12(17)13-10(3)16-19-11(13)4/h9,12H,5-8H2,1-4H3,(H,15,18)
InChIKeyUXSGKTLHPJETBT-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.79
Rot. Bonds3

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

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (PubChem CID 50808765) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
PubChem CID50808765
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1C1CCCN1C(=O)NCC(C)C
InChIInChI=1S/C14H23N3O2/c1-9(2)8-15-14(18)17-7-5-6-12(17)13-10(3)16-19-11(13)4/h9,12H,5-8H2,1-4H3,(H,15,18)
InChIKeyUXSGKTLHPJETBT-UHFFFAOYSA-N
XLogP2.79
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.79
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-(2-methylpropyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide (CID 50808765) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide is Cc1noc(C)c1C1CCCN1C(=O)NCC(C)C.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
The InChIKey is UXSGKTLHPJETBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9(2)8-15-14(18)17-7-5-6-12(17)13-10(3)16-19-11(13)4/h9,12H,5-8H2,1-4H3,(H,15,18).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide has a molecular weight of 265.36 g/mol, XLogP of 2.79, 3 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-(2-methylpropyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 50808765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).