N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C13H21N3O2 — CID 3439628

IUPACN-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)5-7-15-12(17)11-8-18-13(16-11)10-4-3-6-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyQZNQANMJCSJYKF-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.88
Rot. Bonds5

About N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3439628) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3439628
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)CCNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C13H21N3O2/c1-9(2)5-7-15-12(17)11-8-18-13(16-11)10-4-3-6-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,17)
InChIKeyQZNQANMJCSJYKF-UHFFFAOYSA-N
XLogP1.88
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 3439628) is N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is CC(C)CCNC(=O)c1coc(C2CCCN2)n1.
What is the InChIKey of N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is QZNQANMJCSJYKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-9(2)5-7-15-12(17)11-8-18-13(16-11)10-4-3-6-14-10/h8-10,14H,3-7H2,1-2H3,(H,15,17).
What are the key properties of N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3439628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).