1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine

C12H21N3O — CID 65070599

IUPAC1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine
SMILESCc1cc(CNC2CCCN(C)CC2)no1
InChIInChI=1S/C12H21N3O/c1-10-8-12(14-16-10)9-13-11-4-3-6-15(2)7-5-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyZKFZOIFPXHURGX-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.56
Rot. Bonds3

About 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine

1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine (PubChem CID 65070599) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine
PubChem CID65070599
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine
SMILESCc1cc(CNC2CCCN(C)CC2)no1
InChIInChI=1S/C12H21N3O/c1-10-8-12(14-16-10)9-13-11-4-3-6-15(2)7-5-11/h8,11,13H,3-7,9H2,1-2H3
InChIKeyZKFZOIFPXHURGX-UHFFFAOYSA-N
XLogP1.56
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidin-4-amine
CID 60694528
1-methyl-N-[(2-methylpyrimidin-4-yl)methyl]azepan-4-amine
CID 65069995
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
1-methyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]azepan-4-amine
CID 103859828
1-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclobutane-1,3-diamine
CID 80560659
1-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-amine
CID 43215967
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine
CID 106370571
N-[(3,4-difluorophenyl)methyl]-1-methylazepan-4-amine
CID 65070298
N-[[5-[(4-methylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 55070405
N-[[5-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]-1,2-oxazol-3-yl]methyl]cyclopropanamine
CID 63274842
N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
3,3,5,5-tetramethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexan-1-amine
CID 112682066

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine (CID 65070599) is 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine is Cc1cc(CNC2CCCN(C)CC2)no1.
What is the InChIKey of 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine?
The InChIKey is ZKFZOIFPXHURGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-10-8-12(14-16-10)9-13-11-4-3-6-15(2)7-5-11/h8,11,13H,3-7,9H2,1-2H3.
What are the key properties of 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine?
1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine has a molecular weight of 223.32 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]azepan-4-amine is sourced from PubChem (CID 65070599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).