1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one

C13H21N3O2 — CID 109033606

IUPAC1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
SMILESCc1cc(NCCC(=O)N2CCCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-11-10-12(15-18-11)14-7-6-13(17)16-8-4-2-3-5-9-16/h10H,2-9H2,1H3,(H,14,15)
InChIKeyRDXIZSDHKNFCFJ-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.19
Rot. Bonds4

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

1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one (PubChem CID 109033606) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
PubChem CID109033606
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one
SMILESCc1cc(NCCC(=O)N2CCCCCC2)no1
InChIInChI=1S/C13H21N3O2/c1-11-10-12(15-18-11)14-7-6-13(17)16-8-4-2-3-5-9-16/h10H,2-9H2,1H3,(H,14,15)
InChIKeyRDXIZSDHKNFCFJ-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(5-methyl-1,2-oxazol-3-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 109013411
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
(2S)-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 31468642
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
N-cyclohexyl-3-[(5-methyl-1,2-oxazol-3-yl)amino]propanamide
CID 109014106
3-(2,5-dimethylanilino)-1-piperidin-1-ylpropan-1-one
CID 109013832
2,2-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-3-oxo-3-pyrrolidin-1-ylpropanamide
CID 108958534
1-(azepan-1-yl)-3-(2,6-dimethylanilino)propan-1-one
CID 109033510
1-piperidin-1-yl-3-(pyridazin-3-ylamino)propan-1-one
CID 113243711
3-[(5-acetyl-2-pyridinyl)amino]-1-(azepan-1-yl)propan-1-one
CID 136519955

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one (CID 109033606) is 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one is Cc1cc(NCCC(=O)N2CCCCCC2)no1.
What is the InChIKey of 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one?
The InChIKey is RDXIZSDHKNFCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-11-10-12(15-18-11)14-7-6-13(17)16-8-4-2-3-5-9-16/h10H,2-9H2,1H3,(H,14,15).
What are the key properties of 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one?
1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one has a molecular weight of 251.33 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(azepan-1-yl)-3-[(5-methyl-1,2-oxazol-3-yl)amino]propan-1-one is sourced from PubChem (CID 109033606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).