4-methoxy-2-morpholin-3-yl-1,3-benzoxazole

C12H14N2O3 — CID 114764868

IUPAC4-methoxy-2-morpholin-3-yl-1,3-benzoxazole
SMILESCOc1cccc2oc(C3COCCN3)nc12
InChIInChI=1S/C12H14N2O3/c1-15-9-3-2-4-10-11(9)14-12(17-10)8-7-16-6-5-13-8/h2-4,8,13H,5-7H2,1H3
InChIKeyLRYIJGMOMQYTSZ-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.50
Rot. Bonds2

About 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole

4-methoxy-2-morpholin-3-yl-1,3-benzoxazole (PubChem CID 114764868) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole.

Molecular Properties

Compound Name4-methoxy-2-morpholin-3-yl-1,3-benzoxazole
PubChem CID114764868
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name4-methoxy-2-morpholin-3-yl-1,3-benzoxazole
SMILESCOc1cccc2oc(C3COCCN3)nc12
InChIInChI=1S/C12H14N2O3/c1-15-9-3-2-4-10-11(9)14-12(17-10)8-7-16-6-5-13-8/h2-4,8,13H,5-7H2,1H3
InChIKeyLRYIJGMOMQYTSZ-UHFFFAOYSA-N
XLogP1.50
TPSA56.52 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 ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-ethylpiperidin-2-yl)-4-methoxy-1,3-benzoxazole
CID 114764905
4-methoxy-2-(1,2,3,4-tetrahydroisoquinolin-1-yl)-1,3-benzoxazole
CID 114765025
3-methoxy-2-[(3R)-morpholin-3-yl]phenol
CID 131502010
(3R)-3-(3-methoxy-2-pyridinyl)morpholine
CID 130624928
3-(4-fluoro-2-methoxyphenyl)morpholine
CID 82612677
3-(4-methoxy-1,3-benzoxazol-2-yl)bicyclo[2.2.1]heptan-2-amine
CID 114764930
(3R)-3-(3,4-dimethoxyphenyl)morpholine
CID 42183336
3-methoxy-4-morpholin-3-ylphenol
CID 130022201
[2-(4-methoxy-1,3-benzoxazol-2-yl)cyclohexyl]methanamine
CID 114764869
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 114765024
3-(7-methoxy-1-benzofuran-2-yl)-1,4-oxazepane
CID 82622924
(3R)-3-(2-methoxynaphthalen-1-yl)morpholine;hydrochloride
CID 171192849

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole?
The IUPAC name of 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole (CID 114764868) is 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole.
What is the SMILES notation for 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole?
The canonical SMILES for 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole is COc1cccc2oc(C3COCCN3)nc12.
What is the InChIKey of 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole?
The InChIKey is LRYIJGMOMQYTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c1-15-9-3-2-4-10-11(9)14-12(17-10)8-7-16-6-5-13-8/h2-4,8,13H,5-7H2,1H3.
What are the key properties of 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole?
4-methoxy-2-morpholin-3-yl-1,3-benzoxazole has a molecular weight of 234.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-morpholin-3-yl-1,3-benzoxazole is sourced from PubChem (CID 114764868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).