N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C15H26N4O2 — CID 3674031

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C15H26N4O2/c1-15(2,10-19(3)4)9-17-13(20)12-8-21-14(18-12)11-6-5-7-16-11/h8,11,16H,5-7,9-10H2,1-4H3,(H,17,20)
InChIKeyMXYBPJVIBQEGDP-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.42
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 3674031) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID3674031
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCN(C)CC(C)(C)CNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C15H26N4O2/c1-15(2,10-19(3)4)9-17-13(20)12-8-21-14(18-12)11-6-5-7-16-11/h8,11,16H,5-7,9-10H2,1-4H3,(H,17,20)
InChIKeyMXYBPJVIBQEGDP-UHFFFAOYSA-N
XLogP1.42
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 3674031) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is CN(C)CC(C)(C)CNC(=O)c1coc(C2CCCN2)n1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is MXYBPJVIBQEGDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-15(2,10-19(3)4)9-17-13(20)12-8-21-14(18-12)11-6-5-7-16-11/h8,11,16H,5-7,9-10H2,1-4H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 294.40 g/mol, XLogP of 1.42, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3674031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).