4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine

C12H14N2O3 — CID 102697022

IUPAC4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine
SMILESCOc1ccc2oc(C3COCC3N)nc2c1
InChIInChI=1S/C12H14N2O3/c1-15-7-2-3-11-10(4-7)14-12(17-11)8-5-16-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3
InChIKeyBOQSTUUYZWNJBV-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.28
Rot. Bonds2

About 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine

4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine (PubChem CID 102697022) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine
PubChem CID102697022
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine
SMILESCOc1ccc2oc(C3COCC3N)nc2c1
InChIInChI=1S/C12H14N2O3/c1-15-7-2-3-11-10(4-7)14-12(17-11)8-5-16-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3
InChIKeyBOQSTUUYZWNJBV-UHFFFAOYSA-N
XLogP1.28
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methoxy-2-pyrrolidin-2-yl-1,3-benzoxazole
CID 82230801
4-(6-methoxy-1,3-benzoxazol-2-yl)-N-propyloxolan-3-amine
CID 102696585
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 176938802
2-bromo-5-methoxy-1,3-benzoxazole
CID 83382782
ethane;5-methoxy-2-methyl-1,3-benzoxazole
CID 145041643
1-(5-methoxy-1,3-benzoxazol-2-yl)cyclohexan-1-amine
CID 82622741
2-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylcyclohexan-1-amine
CID 102696699
(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 83859186
2-cyclopentyl-6-methoxy-1,3-benzoxazole
CID 146453926
[1-(5-methoxy-1,3-benzoxazol-2-yl)cyclopentyl]methanamine
CID 82622742
5-methoxy-2-(2-methylphenyl)-1,3-benzoxazole
CID 95910994
[1-(5-methoxy-1,3-benzoxazol-2-yl)-4-methylcyclohexyl]methanamine
CID 102696737

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine?
The IUPAC name of 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine (CID 102697022) is 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine.
What is the SMILES notation for 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine?
The canonical SMILES for 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine is COc1ccc2oc(C3COCC3N)nc2c1.
What is the InChIKey of 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine?
The InChIKey is BOQSTUUYZWNJBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-7-2-3-11-10(4-7)14-12(17-11)8-5-16-6-9(8)13/h2-4,8-9H,5-6,13H2,1H3.
What are the key properties of 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine?
4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine has a molecular weight of 234.25 g/mol, XLogP of 1.28, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-1,3-benzoxazol-2-yl)oxolan-3-amine is sourced from PubChem (CID 102697022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).