N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide

C13H21N3O2 — CID 79236791

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2c(C)noc2C)CCNC1
InChIInChI=1S/C13H21N3O2/c1-4-13(5-6-14-8-13)12(17)15-7-11-9(2)16-18-10(11)3/h14H,4-8H2,1-3H3,(H,15,17)
InChIKeyUEYLHCHUZQCUBJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.30
Rot. Bonds4

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide (PubChem CID 79236791) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
PubChem CID79236791
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)NCc2c(C)noc2C)CCNC1
InChIInChI=1S/C13H21N3O2/c1-4-13(5-6-14-8-13)12(17)15-7-11-9(2)16-18-10(11)3/h14H,4-8H2,1-3H3,(H,15,17)
InChIKeyUEYLHCHUZQCUBJ-UHFFFAOYSA-N
XLogP1.30
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 103826095
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
CID 65487379
1-amino-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]cyclobutane-1-carboxamide
CID 81168317
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-[1-(methylamino)cyclohexyl]acetamide
CID 79236291
3-ethyl-N-(furan-2-ylmethyl)pyrrolidine-3-carboxamide
CID 63140952
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 79237806
N-[(4-bromophenyl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 55166669
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoyl]-2-phenylcyclopropane-1-carboxylic acid
CID 166258805
3-ethyl-N-(1H-pyrrol-3-ylmethyl)pyrrolidine-3-carboxamide
CID 106384775
3-ethyl-N-octylpyrrolidine-3-carboxamide
CID 115567862
3-ethyl-N-[(1-methylcyclobutyl)methyl]pyrrolidine-3-carboxamide
CID 103826138

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide (CID 79236791) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)NCc2c(C)noc2C)CCNC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is UEYLHCHUZQCUBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-4-13(5-6-14-8-13)12(17)15-7-11-9(2)16-18-10(11)3/h14H,4-8H2,1-3H3,(H,15,17).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 251.33 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 79236791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).