(7-ethoxy-1,3-benzoxazol-2-yl)methanamine

C10H12N2O2 — CID 130980249

IUPAC(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
SMILESCCOc1cccc2nc(CN)oc12
InChIInChI=1S/C10H12N2O2/c1-2-13-8-5-3-4-7-10(8)14-9(6-11)12-7/h3-5H,2,6,11H2,1H3
InChIKeyNCTMROHYVJYKMH-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.69
Rot. Bonds3

About (7-ethoxy-1,3-benzoxazol-2-yl)methanamine

(7-ethoxy-1,3-benzoxazol-2-yl)methanamine (PubChem CID 130980249) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is (7-ethoxy-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound Name(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
PubChem CID130980249
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
SMILESCCOc1cccc2nc(CN)oc12
InChIInChI=1S/C10H12N2O2/c1-2-13-8-5-3-4-7-10(8)14-9(6-11)12-7/h3-5H,2,6,11H2,1H3
InChIKeyNCTMROHYVJYKMH-UHFFFAOYSA-N
XLogP1.69
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (7-ethoxy-1,3-benzoxazol-2-yl)methanamine 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

[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine
CID 118814572
(7-ethyl-1,3-benzoxazol-2-yl)methanamine
CID 82229700
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
CID 102591089
1,9-diethoxyphenazine
CID 71668489
[7-ethoxy-3-(methoxymethyl)-1-benzofuran-2-yl]methanamine
CID 114376467
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
4-ethoxy-2,1-benzoxazol-3-amine
CID 146278299
2-[(7-ethoxy-1,3-benzoxazol-2-yl)sulfanyl]butanedioic acid
CID 18967182
8-ethoxyquinoxalin-2-amine
CID 133058071
3-(7-propan-2-yl-1,3-benzoxazol-2-yl)propan-1-amine
CID 82230825
3-(1,3-benzothiazol-2-yl)-8-ethoxychromen-2-one
CID 934492

Frequently Asked Questions

What is the IUPAC name of (7-ethoxy-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of (7-ethoxy-1,3-benzoxazol-2-yl)methanamine (CID 130980249) is (7-ethoxy-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for (7-ethoxy-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for (7-ethoxy-1,3-benzoxazol-2-yl)methanamine is CCOc1cccc2nc(CN)oc12.
What is the InChIKey of (7-ethoxy-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is NCTMROHYVJYKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-2-13-8-5-3-4-7-10(8)14-9(6-11)12-7/h3-5H,2,6,11H2,1H3.
What are the key properties of (7-ethoxy-1,3-benzoxazol-2-yl)methanamine?
(7-ethoxy-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 192.22 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethoxy-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 130980249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).