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

C11H17N3O2 — CID 106608884

IUPACN-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1ccon1
InChIInChI=1S/C11H17N3O2/c1-2-14(8-9-4-3-6-12-9)11(15)10-5-7-16-13-10/h5,7,9,12H,2-4,6,8H2,1H3
InChIKeyBWGMPHJHEPVGFY-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.89
Rot. Bonds4

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

N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 106608884) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID106608884
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC NameN-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESCCN(CC1CCCN1)C(=O)c1ccon1
InChIInChI=1S/C11H17N3O2/c1-2-14(8-9-4-3-6-12-9)11(15)10-5-7-16-13-10/h5,7,9,12H,2-4,6,8H2,1H3
InChIKeyBWGMPHJHEPVGFY-UHFFFAOYSA-N
XLogP0.89
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 106607345
N-(piperidin-2-ylmethyl)-N-propan-2-yl-1,2-oxazole-3-carboxamide
CID 106626378
5-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)pyridine-2-carboxamide
CID 106609136
N-ethyl-4-hydroxy-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609417
N-ethyl-4-fluoro-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609422
N-ethyl-N-(pyrrolidin-2-ylmethyl)quinoxaline-2-carboxamide
CID 107356560
4-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609166
4-tert-butyl-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609044
4-cyano-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609443
3-chloro-N-ethyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 106609046
3-bromo-N-ethyl-N-(pyrrolidin-2-ylmethyl)thiophene-2-carboxamide
CID 106609503
N-ethyl-N-(pyrrolidin-2-ylmethyl)thiadiazole-5-carboxamide
CID 106609110

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide (CID 106608884) is N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide is CCN(CC1CCCN1)C(=O)c1ccon1.
What is the InChIKey of N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is BWGMPHJHEPVGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-14(8-9-4-3-6-12-9)11(15)10-5-7-16-13-10/h5,7,9,12H,2-4,6,8H2,1H3.
What are the key properties of N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide?
N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 223.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 106608884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).