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

C10H15N3O2 — CID 106607345

IUPACN-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(CC1CCCN1)C(=O)c1ccon1
InChIInChI=1S/C10H15N3O2/c1-13(7-8-3-2-5-11-8)10(14)9-4-6-15-12-9/h4,6,8,11H,2-3,5,7H2,1H3
InChIKeyQJOZIZRGOFJNQK-UHFFFAOYSA-N
MW209.25 g/mol
LogP0.50
Rot. Bonds3

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

N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 106607345) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID106607345
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC NameN-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCN(CC1CCCN1)C(=O)c1ccon1
InChIInChI=1S/C10H15N3O2/c1-13(7-8-3-2-5-11-8)10(14)9-4-6-15-12-9/h4,6,8,11H,2-3,5,7H2,1H3
InChIKeyQJOZIZRGOFJNQK-UHFFFAOYSA-N
XLogP0.50
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 106607345) is N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide is CN(CC1CCCN1)C(=O)c1ccon1.
What is the InChIKey of N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is QJOZIZRGOFJNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-13(7-8-3-2-5-11-8)10(14)9-4-6-15-12-9/h4,6,8,11H,2-3,5,7H2,1H3.
What are the key properties of N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 209.25 g/mol, XLogP of 0.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106607345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).