1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine

C12H14N2O2 — CID 116869292

IUPAC1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc3ncoc3c2)COC1
InChIInChI=1S/C12H14N2O2/c1-13-5-12(6-15-7-12)9-2-3-10-11(4-9)16-8-14-10/h2-4,8,13H,5-7H2,1H3
InChIKeyLSPWOBDEPHQCIC-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.32
Rot. Bonds3

About 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine

1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine (PubChem CID 116869292) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine
PubChem CID116869292
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine
SMILESCNCC1(c2ccc3ncoc3c2)COC1
InChIInChI=1S/C12H14N2O2/c1-13-5-12(6-15-7-12)9-2-3-10-11(4-9)16-8-14-10/h2-4,8,13H,5-7H2,1H3
InChIKeyLSPWOBDEPHQCIC-UHFFFAOYSA-N
XLogP1.32
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine 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-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propan-1-amine
CID 116870084
3-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]propanenitrile
CID 116873395
1-[3-(3H-benzimidazol-5-yl)oxetan-3-yl]-N-methylmethanamine
CID 116869295
4-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]butanoic acid
CID 116871995
2-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-2-methylpropanenitrile
CID 116873662
N-methyl-1-[3-(1-methylbenzimidazol-5-yl)oxetan-3-yl]methanamine
CID 116869297
3-(1,3-benzoxazol-6-yl)oxetane-3-carboxamide
CID 116876205
6-(3-pyrrolidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870823
3-[(1,3-benzoxazol-6-ylamino)methyl]oxetane-3-carboxylic acid
CID 115248308
6-(3-piperidin-2-yloxetan-3-yl)-1,3-benzoxazole
CID 116870937
4-(1,3-benzoxazol-6-ylmethyl)-N-methylcyclohexan-1-amine
CID 116926361
2-[3-(3,4-dimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869633

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine (CID 116869292) is 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine is CNCC1(c2ccc3ncoc3c2)COC1.
What is the InChIKey of 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine?
The InChIKey is LSPWOBDEPHQCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-13-5-12(6-15-7-12)9-2-3-10-11(4-9)16-8-14-10/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine?
1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine has a molecular weight of 218.26 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,3-benzoxazol-6-yl)oxetan-3-yl]-N-methylmethanamine is sourced from PubChem (CID 116869292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).