N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine

C14H19N3O2 — CID 167812895

IUPACN-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCC1(CNc2nc3ccccc3o2)CNCCOC1
InChIInChI=1S/C14H19N3O2/c1-14(8-15-6-7-18-10-14)9-16-13-17-11-4-2-3-5-12(11)19-13/h2-5,15H,6-10H2,1H3,(H,16,17)
InChIKeyYRLAMSJNJCZTMZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.87
Rot. Bonds3

About N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine

N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 167812895) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine
PubChem CID167812895
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC NameN-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCC1(CNc2nc3ccccc3o2)CNCCOC1
InChIInChI=1S/C14H19N3O2/c1-14(8-15-6-7-18-10-14)9-16-13-17-11-4-2-3-5-12(11)19-13/h2-5,15H,6-10H2,1H3,(H,16,17)
InChIKeyYRLAMSJNJCZTMZ-UHFFFAOYSA-N
XLogP1.87
TPSA59.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-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

N-[(1-methylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
CID 114095046
1-[(1,3-benzoxazol-2-ylamino)methyl]-4,4-dimethylcyclohexan-1-ol
CID 65118611
N-[(5-methoxy-1,3,3-trimethylcyclohexyl)methyl]-1,3-benzoxazol-2-amine
CID 53345030
N-propyl-1,3-benzoxazol-2-amine
CID 584386
N-(oxan-4-ylmethyl)-1,3-benzoxazol-2-amine
CID 62351549
N-(2-pyrrolidin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 63623825
N-(2-pyrrolidin-1-ylethyl)-1,3-benzoxazol-2-amine
CID 55023477
4-(1,3-benzoxazol-2-ylamino)-2,2-dimethylbutanoic acid
CID 114285537
2-(4-methylpiperidin-4-yl)-1,3-benzoxazole
CID 63124311
1-(1,3-benzoxazol-2-ylamino)-2-methylpropan-2-ol
CID 63118851
N-(2-chloropropyl)-1,3-benzoxazol-2-amine
CID 65027470
N-(1,3-benzoxazol-2-yl)-N',N'-dimethylpropane-1,3-diamine
CID 60980989

Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine (CID 167812895) is N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine is CC1(CNc2nc3ccccc3o2)CNCCOC1.
What is the InChIKey of N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is YRLAMSJNJCZTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-14(8-15-6-7-18-10-14)9-16-13-17-11-4-2-3-5-12(11)19-13/h2-5,15H,6-10H2,1H3,(H,16,17).
What are the key properties of N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine?
N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 261.32 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-1,4-oxazepan-6-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 167812895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).