3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol

C11H14N2O3 — CID 107837480

IUPAC3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
SMILESCOc1ccc2nc(C(O)CCN)oc2c1
InChIInChI=1S/C11H14N2O3/c1-15-7-2-3-8-10(6-7)16-11(13-8)9(14)4-5-12/h2-3,6,9,14H,4-5,12H2,1H3
InChIKeyOIXQYELAWXUKGH-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.22
Rot. Bonds4

About 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol

3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol (PubChem CID 107837480) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
PubChem CID107837480
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol
SMILESCOc1ccc2nc(C(O)CCN)oc2c1
InChIInChI=1S/C11H14N2O3/c1-15-7-2-3-8-10(6-7)16-11(13-8)9(14)4-5-12/h2-3,6,9,14H,4-5,12H2,1H3
InChIKeyOIXQYELAWXUKGH-UHFFFAOYSA-N
XLogP1.22
TPSA81.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-1-(6-chloro-1,3-benzoxazol-2-yl)propan-1-ol
CID 107837473
(6-methoxy-1,3-benzoxazol-2-yl)methanol
CID 130837155
(6-methoxy-1,3-benzoxazol-2-yl)-thiophen-2-ylmethanamine
CID 102696285
2-(6-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 102696213
2-[(2-propan-2-yl-1,3-benzoxazol-6-yl)oxy]propan-1-amine
CID 117098400
3-amino-1-(5-methoxy-1-methylbenzimidazol-2-yl)propan-1-ol
CID 107835458
2-(3-amino-1-hydroxypropyl)-5-methoxyphenol
CID 82606953
2-ethoxy-6-methoxy-1,3-benzoxazole
CID 130837090
N-[(6-methoxy-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 102696307
1-(6-methoxy-1,3-benzoxazol-2-yl)cyclopropan-1-amine
CID 102696309
(1S)-1-(5-methoxy-1,3-benzoxazol-2-yl)-2-methylpropan-1-amine
CID 83859186
2-[(6-methoxy-1,3-benzoxazol-2-yl)amino]ethanol
CID 146454064

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol?
The IUPAC name of 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol (CID 107837480) is 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol is COc1ccc2nc(C(O)CCN)oc2c1.
What is the InChIKey of 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol?
The InChIKey is OIXQYELAWXUKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-15-7-2-3-8-10(6-7)16-11(13-8)9(14)4-5-12/h2-3,6,9,14H,4-5,12H2,1H3.
What are the key properties of 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol?
3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol has a molecular weight of 222.24 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(6-methoxy-1,3-benzoxazol-2-yl)propan-1-ol is sourced from PubChem (CID 107837480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).