N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

C13H21N3O2 — CID 95315735

IUPACN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1c(C)noc1C
InChIInChI=1S/C13H21N3O2/c1-4-16-7-5-6-11(16)8-14-13(17)12-9(2)15-18-10(12)3/h11H,4-8H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyYRKCXEOYLVUTOM-LLVKDONJSA-N
MW251.33 g/mol
LogP1.51
Rot. Bonds4

About N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 95315735) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID95315735
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN1CCC[C@@H]1CNC(=O)c1c(C)noc1C
InChIInChI=1S/C13H21N3O2/c1-4-16-7-5-6-11(16)8-14-13(17)12-9(2)15-18-10(12)3/h11H,4-8H2,1-3H3,(H,14,17)/t11-/m1/s1
InChIKeyYRKCXEOYLVUTOM-LLVKDONJSA-N
XLogP1.51
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 95315735) is N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCN1CCC[C@@H]1CNC(=O)c1c(C)noc1C.
What is the InChIKey of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is YRKCXEOYLVUTOM-LLVKDONJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-16-7-5-6-11(16)8-14-13(17)12-9(2)15-18-10(12)3/h11H,4-8H2,1-3H3,(H,14,17)/t11-/m1/s1.
What are the key properties of N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 95315735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).