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

C13H23N3O — CID 106370571

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine
SMILESCc1nc(CNC2CCCN(C)CC2)oc1C
InChIInChI=1S/C13H23N3O/c1-10-11(2)17-13(15-10)9-14-12-5-4-7-16(3)8-6-12/h12,14H,4-9H2,1-3H3
InChIKeyGVJZXHXXJASNGZ-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.87
Rot. Bonds3

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

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine (PubChem CID 106370571) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine
PubChem CID106370571
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine
SMILESCc1nc(CNC2CCCN(C)CC2)oc1C
InChIInChI=1S/C13H23N3O/c1-10-11(2)17-13(15-10)9-14-12-5-4-7-16(3)8-6-12/h12,14H,4-9H2,1-3H3
InChIKeyGVJZXHXXJASNGZ-UHFFFAOYSA-N
XLogP1.87
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

(4,5-Dimethyl-1,3-Oxazol-2-Yl)Methanamine
CID 28293489
1-[(4,5-Dimethyl-1,3-oxazol-2-yl)methyl]-3-propylurea
CID 47360467
(1-((Dimethyl-1,3-oxazol-2-yl)methyl)piperidin-4-yl)methanamine
CID 52203126
1-[(Dimethyl-1,3-oxazol-2-yl)methyl]-1,4-diazepane
CID 53532524
tert-butyl N-[4-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl-methylamino]cyclohexyl]carbamate
CID 75408338
4,5-Dimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-oxazole
CID 86769321
(3S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,5,5-tetramethyloxolan-3-amine
CID 99632811
(3S)-1-cyclohexyl-N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]pyrrolidin-3-amine
CID 164639573
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,2,2-trifluoroethanamine
CID 60972922
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,3,3-trifluoropropan-1-amine
CID 63226435
1-[5-(fluoromethyl)-4-methyl-1,3-oxazol-2-yl]-N-methylmethanamine
CID 84763992
1-[5-(Fluoromethyl)-4-methyl-1,3-oxazol-2-yl]ethanamine
CID 84763993

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine (CID 106370571) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine is Cc1nc(CNC2CCCN(C)CC2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine?
The InChIKey is GVJZXHXXJASNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10-11(2)17-13(15-10)9-14-12-5-4-7-16(3)8-6-12/h12,14H,4-9H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine has a molecular weight of 237.35 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-methylazepan-4-amine is sourced from PubChem (CID 106370571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).