1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine

C11H12N2O2 — CID 102696309

IUPAC1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
SMILESCOc1ccc2nc(C3(N)CC3)oc2c1
InChIInChI=1S/C11H12N2O2/c1-14-7-2-3-8-9(6-7)15-10(13-8)11(12)4-5-11/h2-3,6H,4-5,12H2,1H3
InChIKeyHJTVYZUXXPTNOE-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.78
Rot. Bonds2

About 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine

1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine (PubChem CID 102696309) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
PubChem CID102696309
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
SMILESCOc1ccc2nc(C3(N)CC3)oc2c1
InChIInChI=1S/C11H12N2O2/c1-14-7-2-3-8-9(6-7)15-10(13-8)11(12)4-5-11/h2-3,6H,4-5,12H2,1H3
InChIKeyHJTVYZUXXPTNOE-UHFFFAOYSA-N
XLogP1.78
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-methoxy-1,3-benzoxazol-2-yl)cyclobutan-1-amine
CID 102696482
1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 82622741
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
6-methoxy-2-(3-propylpiperidin-3-yl)-1,3-benzoxazole
CID 102696219
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213
[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
CID 102696737
2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
CID 102696699
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064
(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine
CID 102696285

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine?
The IUPAC name of 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine (CID 102696309) is 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine is COc1ccc2nc(C3(N)CC3)oc2c1.
What is the InChIKey of 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine?
The InChIKey is HJTVYZUXXPTNOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-14-7-2-3-8-9(6-7)15-10(13-8)11(12)4-5-11/h2-3,6H,4-5,12H2,1H3.
What are the key properties of 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine?
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine has a molecular weight of 204.23 g/mol, XLogP of 1.78, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 102696309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).