3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

C11H17N3O2 — CID 109013411

IUPAC3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cc(NCCC(=O)N2CCCC2)no1
InChIInChI=1S/C11H17N3O2/c1-9-8-10(13-16-9)12-5-4-11(15)14-6-2-3-7-14/h8H,2-7H2,1H3,(H,12,13)
InChIKeyYWWXZUOFLFOHEM-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.41
Rot. Bonds4

About 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one

3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 109013411) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID109013411
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCc1cc(NCCC(=O)N2CCCC2)no1
InChIInChI=1S/C11H17N3O2/c1-9-8-10(13-16-9)12-5-4-11(15)14-6-2-3-7-14/h8H,2-7H2,1H3,(H,12,13)
InChIKeyYWWXZUOFLFOHEM-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109033606
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
CID 109030150
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-morpholin-4-ylethanone
CID 108994230
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
2,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958534
(2S)-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 31468642
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109014106
3-[(5-aminopyrazin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 113411675
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832
6-[(3-oxo-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carbonitrile
CID 112692141
1-[3-(furan-2-carbonylamino)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 39701754

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one (CID 109013411) is 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is Cc1cc(NCCC(=O)N2CCCC2)no1.
What is the InChIKey of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is YWWXZUOFLFOHEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-9-8-10(13-16-9)12-5-4-11(15)14-6-2-3-7-14/h8H,2-7H2,1H3,(H,12,13).
What are the key properties of 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one?
3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 223.28 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 109013411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).