3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol

C11H14N2O4 — CID 23368503

IUPAC3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol
SMILESCOCC(N)COc1noc2ccc(O)cc12
InChIInChI=1S/C11H14N2O4/c1-15-5-7(12)6-16-11-9-4-8(14)2-3-10(9)17-13-11/h2-4,7,14H,5-6,12H2,1H3
InChIKeyIJPVBWQRNVJZTI-UHFFFAOYSA-N
MW238.24 g/mol
LogP0.89
Rot. Bonds5

About 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol

3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol (PubChem CID 23368503) has the molecular formula C11H14N2O4 and a molecular weight of 238.24 g/mol. Its IUPAC name is 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol.

Molecular Properties

Compound Name3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol
PubChem CID23368503
Molecular FormulaC11H14N2O4
Molecular Weight238.24 g/mol
Exact Mass238.10
IUPAC Name3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol
SMILESCOCC(N)COc1noc2ccc(O)cc12
InChIInChI=1S/C11H14N2O4/c1-15-5-7(12)6-16-11-9-4-8(14)2-3-10(9)17-13-11/h2-4,7,14H,5-6,12H2,1H3
InChIKeyIJPVBWQRNVJZTI-UHFFFAOYSA-N
XLogP0.89
TPSA90.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-amino-3-(1,2-benzoxazol-3-yloxy)propyl] carbamate
CID 67733596
3-[1-amino-2-(1,2-benzoxazol-3-yloxy)ethyl]phenol
CID 23368384
methyl N-[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propoxy]carbonylcarbamate
CID 23368391
3-[1-amino-2-[(5-chloro-1,2-benzoxazol-3-yl)oxy]ethyl]phenol
CID 23368377
[2-amino-3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]propyl] sulfamate;hydrochloride
CID 23368565
[3-amino-4-[(5-chloro-1,2-benzoxazol-3-yl)oxy]butyl] carbamate;hydrochloride
CID 23368426
(2S)-1-(1,2-benzoxazol-3-yloxy)-3-methylbutan-2-amine
CID 67733558
3-(bromomethyl)-1,2-benzoxazol-5-ol
CID 119090322
N-benzyl-1-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-3-methoxypropan-2-amine
CID 23368527
[3-[(5-chloro-1,2-benzoxazol-3-yl)oxy]-2-(methylamino)propyl] carbamate
CID 23368480
3-methoxy-1,2-benzoxazol-5-amine
CID 83668440
3-(4-methylphenyl)-1,2-benzoxazol-5-ol
CID 105482853

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol?
The IUPAC name of 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol (CID 23368503) is 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol.
What is the SMILES notation for 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol?
The canonical SMILES for 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol is COCC(N)COc1noc2ccc(O)cc12.
What is the InChIKey of 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol?
The InChIKey is IJPVBWQRNVJZTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O4/c1-15-5-7(12)6-16-11-9-4-8(14)2-3-10(9)17-13-11/h2-4,7,14H,5-6,12H2,1H3.
What are the key properties of 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol?
3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol has a molecular weight of 238.24 g/mol, XLogP of 0.89, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-methoxypropoxy)-1,2-benzoxazol-5-ol is sourced from PubChem (CID 23368503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).