N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine

C10H10N2O — CID 143344954

IUPACN-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
SMILESC=NCc1ccc2oc(C)nc2c1
InChIInChI=1S/C10H10N2O/c1-7-12-9-5-8(6-11-2)3-4-10(9)13-7/h3-5H,2,6H2,1H3
InChIKeySOTZIRBWRJEVEP-UHFFFAOYSA-N
MW174.20 g/mol
LogP2.34
Rot. Bonds2

About N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine

N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine (PubChem CID 143344954) has the molecular formula C10H10N2O and a molecular weight of 174.20 g/mol. Its IUPAC name is N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine.

Molecular Properties

Compound NameN-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
PubChem CID143344954
Molecular FormulaC10H10N2O
Molecular Weight174.20 g/mol
Exact Mass174.08
IUPAC NameN-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine
SMILESC=NCc1ccc2oc(C)nc2c1
InChIInChI=1S/C10H10N2O/c1-7-12-9-5-8(6-11-2)3-4-10(9)13-7/h3-5H,2,6H2,1H3
InChIKeySOTZIRBWRJEVEP-UHFFFAOYSA-N
XLogP2.34
TPSA38.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.20
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine 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,N-dimethyl-N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimidamide
CID 58408180
carbon dioxide;5-ethyl-2-methyl-1,3-benzoxazole
CID 162219580
2-methyl-5-(2,2,2-trifluoroethyl)-1,3-benzoxazole
CID 116932187
2-(2-methyl-1,3-benzoxazol-5-yl)acetic acid
CID 1478196
N-ethyl-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115259635
N-(hydrazinylmethyl)-N-methyl-2-(2-methyl-1,3-benzoxazol-5-yl)ethanamine
CID 115261332
N'-[(2-methyl-1,3-benzoxazol-5-yl)methyl]ethane-1,2-diamine
CID 115195341
2-[(2-methyl-1,3-benzoxazol-5-yl)methylamino]ethanethiol
CID 115224002
2-[methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]amino]acetamide
CID 115260031
methyl-[(2-methyl-1,3-benzoxazol-5-yl)methyl]carbamic acid
CID 115171032
2-methyl-1-N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]propane-1,2-diamine
CID 115135941
[1-[(2-methyl-1,3-benzoxazol-5-yl)methyl]cyclopropyl]methanamine
CID 116929013

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine?
The IUPAC name of N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine (CID 143344954) is N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine.
What is the SMILES notation for N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine?
The canonical SMILES for N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine is C=NCc1ccc2oc(C)nc2c1.
What is the InChIKey of N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine?
The InChIKey is SOTZIRBWRJEVEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O/c1-7-12-9-5-8(6-11-2)3-4-10(9)13-7/h3-5H,2,6H2,1H3.
What are the key properties of N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine?
N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine has a molecular weight of 174.20 g/mol, XLogP of 2.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-benzoxazol-5-yl)methyl]methanimine is sourced from PubChem (CID 143344954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).