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

C12H19N3O2 — CID 65487379

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2onc(C)c2C)CCNC1
InChIInChI=1S/C12H19N3O2/c1-4-12(5-6-13-7-12)11(16)14-10-8(2)9(3)15-17-10/h13H,4-7H2,1-3H3,(H,14,16)
InChIKeyGPZVKPQVEDYZSU-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.62
Rot. Bonds3

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide (PubChem CID 65487379) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
PubChem CID65487379
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide
SMILESCCC1(C(=O)Nc2onc(C)c2C)CCNC1
InChIInChI=1S/C12H19N3O2/c1-4-12(5-6-13-7-12)11(16)14-10-8(2)9(3)15-17-10/h13H,4-7H2,1-3H3,(H,14,16)
InChIKeyGPZVKPQVEDYZSU-UHFFFAOYSA-N
XLogP1.62
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 79236791
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylpyrrolidine-2-carboxamide
CID 65488157
N-(4,5-dimethyl-1H-pyrazol-3-yl)-3-ethylpyrrolidine-3-carboxamide
CID 113433636
3-ethyl-N-(1,2-oxazol-4-yl)pyrrolidine-3-carboxamide
CID 63142572
3-ethyl-N-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-3-carboxamide
CID 63141247
3-ethyl-N-(3-methyl-1,2-oxazol-5-yl)piperidine-3-carboxamide
CID 63132332
3-ethyl-N-quinoxalin-6-ylpyrrolidine-3-carboxamide
CID 63140174
3-ethyl-N-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 63140483
3-ethyl-N-(4-propylphenyl)pyrrolidine-3-carboxamide
CID 55166292
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylpyrrolidine-3-carboxamide
CID 103826095
3-ethyl-N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-3-carboxamide
CID 63140977
3-ethyl-N-(1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 63138876

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide (CID 65487379) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide is CCC1(C(=O)Nc2onc(C)c2C)CCNC1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide?
The InChIKey is GPZVKPQVEDYZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-12(5-6-13-7-12)11(16)14-10-8(2)9(3)15-17-10/h13H,4-7H2,1-3H3,(H,14,16).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide has a molecular weight of 237.30 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-3-ethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 65487379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).