1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one

C16H27N3O2 — CID 78961619

IUPAC1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one
SMILESCc1noc(C)c1C(C)NC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-11(15-12(2)18-21-14(15)4)17-13(3)16(20)19-9-7-5-6-8-10-19/h11,13,17H,5-10H2,1-4H3
InChIKeyDTUMZPUXERGOOX-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.73
Rot. Bonds4

About 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one

1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one (PubChem CID 78961619) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one.

Molecular Properties

Compound Name1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one
PubChem CID78961619
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one
SMILESCc1noc(C)c1C(C)NC(C)C(=O)N1CCCCCC1
InChIInChI=1S/C16H27N3O2/c1-11(15-12(2)18-21-14(15)4)17-13(3)16(20)19-9-7-5-6-8-10-19/h11,13,17H,5-10H2,1-4H3
InChIKeyDTUMZPUXERGOOX-UHFFFAOYSA-N
XLogP2.73
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-1-morpholin-4-ylpropan-1-one
CID 78961595
2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]-N,N-diethylpropanamide
CID 78961648
(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81118238
2-[1-(4-methyl-1,3-thiazol-5-yl)ethylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 112699088
2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
CID 79234327
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169
methyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]butanoate
CID 115353489
1-(azepan-1-yl)-2-[1-(furan-2-yl)ethylamino]propan-1-one
CID 43401218
1-(azepan-1-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]propan-1-one
CID 54903759
1-piperidin-1-yl-2-(1-pyridin-3-ylethylamino)propan-1-one
CID 43396360
(3R)-1-[(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]pyrrolidine-3-carboxylic acid
CID 124690967
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660

Frequently Asked Questions

What is the IUPAC name of 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one?
The IUPAC name of 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one (CID 78961619) is 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one.
What is the SMILES notation for 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one?
The canonical SMILES for 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one is Cc1noc(C)c1C(C)NC(C)C(=O)N1CCCCCC1.
What is the InChIKey of 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one?
The InChIKey is DTUMZPUXERGOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-11(15-12(2)18-21-14(15)4)17-13(3)16(20)19-9-7-5-6-8-10-19/h11,13,17H,5-10H2,1-4H3.
What are the key properties of 1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one?
1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one has a molecular weight of 293.41 g/mol, XLogP of 2.73, 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)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one is sourced from PubChem (CID 78961619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).