5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide

C11H17N3O2 — CID 63622674

IUPAC5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC2CCNC2)no1
InChIInChI=1S/C11H17N3O2/c1-8-6-10(14-16-8)11(15)13-5-3-9-2-4-12-7-9/h6,9,12H,2-5,7H2,1H3,(H,13,15)
InChIKeyXYQFDWQIIQYRGC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.71
Rot. Bonds4

About 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide

5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 63622674) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID63622674
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCC2CCNC2)no1
InChIInChI=1S/C11H17N3O2/c1-8-6-10(14-16-8)11(15)13-5-3-9-2-4-12-7-9/h6,9,12H,2-5,7H2,1H3,(H,13,15)
InChIKeyXYQFDWQIIQYRGC-UHFFFAOYSA-N
XLogP0.71
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-4-carboxamide
CID 63628731
N-(2-pyrrolidin-3-ylethyl)-1,2,5-thiadiazole-3-carboxamide
CID 63630234
3,4-dimethyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119537772
5-methyl-2,4-dioxo-N-(2-pyrrolidin-3-ylethyl)-1H-pyrido[2,3-d]pyrimidine-7-carboxamide
CID 119537574
N-(2-piperidin-3-ylethyl)-1,2-oxazole-3-carboxamide
CID 63627853
3-bromo-5-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 113460894
3-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide;hydrochloride
CID 119536491
3-fluoro-4-methyl-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63622867
2-methyl-N-(2-pyrrolidin-3-ylethyl)-1H-pyrrole-3-carboxamide
CID 119537626
3,5-dimethoxy-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 63628220
4-methyl-N-(2-pyrrolidin-3-ylethyl)-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119533474
2,6-dimethyl-N-(2-pyrrolidin-3-ylethyl)pyridine-3-carboxamide;dihydrochloride
CID 119537084

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide (CID 63622674) is 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCC2CCNC2)no1.
What is the InChIKey of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is XYQFDWQIIQYRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-6-10(14-16-8)11(15)13-5-3-9-2-4-12-7-9/h6,9,12H,2-5,7H2,1H3,(H,13,15).
What are the key properties of 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide?
5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.71, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-(2-pyrrolidin-3-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 63622674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).