2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide

C12H19N3O2 — CID 119065059

IUPAC2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCc1ccno1)N1CCCC1
InChIInChI=1S/C12H19N3O2/c1-12(2,15-7-3-4-8-15)11(16)13-9-10-5-6-14-17-10/h5-6H,3-4,7-9H2,1-2H3,(H,13,16)
InChIKeyOHFQXZNDBZTKKT-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.17
Rot. Bonds4

About 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide

2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide (PubChem CID 119065059) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide
PubChem CID119065059
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide
SMILESCC(C)(C(=O)NCc1ccno1)N1CCCC1
InChIInChI=1S/C12H19N3O2/c1-12(2,15-7-3-4-8-15)11(16)13-9-10-5-6-14-17-10/h5-6H,3-4,7-9H2,1-2H3,(H,13,16)
InChIKeyOHFQXZNDBZTKKT-UHFFFAOYSA-N
XLogP1.17
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Ethyl-2-(1,2-oxazole-5-carbonyl)-2,6,9-triazaspiro[4.5]decan-8-one
CID 118742217
N-((5-methylisoxazol-4-yl)methyl)isoxazole-5-carboxamide
CID 121172381
2,2,2-trifluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 104600349
N-(1,2-oxazol-5-ylmethyl)-2-(2,2,2-trifluoroethylamino)acetamide
CID 104600393
N-(1,2-oxazol-5-ylmethyl)-3-(trifluoromethyl)pyrrolidine-3-carboxamide
CID 106416933
2-amino-3,3,3-trifluoro-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106416942
2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)acetamide
CID 106417894
2,2,3,3-tetrafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106423346
2,2,3,3,3-pentafluoro-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 106423353
2,2-difluoro-N-(1,2-oxazol-5-ylmethyl)acetamide
CID 107168198
2-(1,2-oxazol-5-ylmethylamino)-N-(2,2,2-trifluoroethyl)propanamide
CID 114186229
2-fluoro-2-methyl-N-(1,2-oxazol-5-ylmethyl)propanamide
CID 130166978

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide (CID 119065059) is 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide is CC(C)(C(=O)NCc1ccno1)N1CCCC1.
What is the InChIKey of 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide?
The InChIKey is OHFQXZNDBZTKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-12(2,15-7-3-4-8-15)11(16)13-9-10-5-6-14-17-10/h5-6H,3-4,7-9H2,1-2H3,(H,13,16).
What are the key properties of 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide?
2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide has a molecular weight of 237.30 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(1,2-oxazol-5-ylmethyl)-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 119065059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).