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

C10H12N2O — CID 82229700

IUPAC(7-ethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCCc1cccc2nc(CN)oc12
InChIInChI=1S/C10H12N2O/c1-2-7-4-3-5-8-10(7)13-9(6-11)12-8/h3-5H,2,6,11H2,1H3
InChIKeyIOVGVZIIMUAWOS-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.85
Rot. Bonds2

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

(7-ethyl-1,3-benzoxazol-2-yl)methanamine (PubChem CID 82229700) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is (7-ethyl-1,3-benzoxazol-2-yl)methanamine.

Molecular Properties

Compound Name(7-ethyl-1,3-benzoxazol-2-yl)methanamine
PubChem CID82229700
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name(7-ethyl-1,3-benzoxazol-2-yl)methanamine
SMILESCCc1cccc2nc(CN)oc12
InChIInChI=1S/C10H12N2O/c1-2-7-4-3-5-8-10(7)13-9(6-11)12-8/h3-5H,2,6,11H2,1H3
InChIKeyIOVGVZIIMUAWOS-UHFFFAOYSA-N
XLogP1.85
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7-ethoxy-1,3-benzoxazol-2-yl)methanamine
CID 130980249
2-(aminomethyl)-1,3-benzoxazole-7-carboxamide
CID 118853991
7-ethyl-1,3-benzoxazole-2-carbaldehyde
CID 131091388
7-ethyl-2-propan-2-yl-1,3-benzoxazole
CID 82229866
2-[7-(aminomethyl)-1,3-benzoxazol-2-yl]acetonitrile
CID 131012085
2-ethyl-1,3-benzoxazol-7-amine
CID 28752253
2-cyclopropyl-7-ethyl-1,3-benzoxazole
CID 82229837
[7-(trifluoromethoxy)-1,3-benzoxazol-2-yl]methanamine
CID 118814572
7-chloro-2-ethyl-1,3-benzoxazole;ethane
CID 145422822
ethyl 2-(7-hydroxy-1,3-benzoxazol-2-yl)acetate
CID 102591089
7-(bromomethyl)-2-(chloromethyl)-1,3-benzoxazole
CID 130769397
2-ethyl-7-methylsulfanyl-1,3-benzoxazole
CID 130894129

Frequently Asked Questions

What is the IUPAC name of (7-ethyl-1,3-benzoxazol-2-yl)methanamine?
The IUPAC name of (7-ethyl-1,3-benzoxazol-2-yl)methanamine (CID 82229700) is (7-ethyl-1,3-benzoxazol-2-yl)methanamine.
What is the SMILES notation for (7-ethyl-1,3-benzoxazol-2-yl)methanamine?
The canonical SMILES for (7-ethyl-1,3-benzoxazol-2-yl)methanamine is CCc1cccc2nc(CN)oc12.
What is the InChIKey of (7-ethyl-1,3-benzoxazol-2-yl)methanamine?
The InChIKey is IOVGVZIIMUAWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-2-7-4-3-5-8-10(7)13-9(6-11)12-8/h3-5H,2,6,11H2,1H3.
What are the key properties of (7-ethyl-1,3-benzoxazol-2-yl)methanamine?
(7-ethyl-1,3-benzoxazol-2-yl)methanamine has a molecular weight of 176.22 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-ethyl-1,3-benzoxazol-2-yl)methanamine is sourced from PubChem (CID 82229700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).