5-morpholin-3-yl-1,3-benzoxazol-4-ol

C11H12N2O3 — CID 84787310

IUPAC5-morpholin-3-yl-1,3-benzoxazol-4-ol
SMILESOc1c(C2COCCN2)ccc2ocnc12
InChIInChI=1S/C11H12N2O3/c14-11-7(8-5-15-4-3-12-8)1-2-9-10(11)13-6-16-9/h1-2,6,8,12,14H,3-5H2
InChIKeyDESDNJQTIGGQFA-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.19
Rot. Bonds1

About 5-morpholin-3-yl-1,3-benzoxazol-4-ol

5-morpholin-3-yl-1,3-benzoxazol-4-ol (PubChem CID 84787310) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-morpholin-3-yl-1,3-benzoxazol-4-ol.

Molecular Properties

Compound Name5-morpholin-3-yl-1,3-benzoxazol-4-ol
PubChem CID84787310
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name5-morpholin-3-yl-1,3-benzoxazol-4-ol
SMILESOc1c(C2COCCN2)ccc2ocnc12
InChIInChI=1S/C11H12N2O3/c14-11-7(8-5-15-4-3-12-8)1-2-9-10(11)13-6-16-9/h1-2,6,8,12,14H,3-5H2
InChIKeyDESDNJQTIGGQFA-UHFFFAOYSA-N
XLogP1.19
TPSA67.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-4-morpholin-3-ylphenol
CID 55271299
2-hydroxy-3-[(3S)-morpholin-3-yl]benzonitrile
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2-morpholin-3-ylphenol
CID 55294349
3-methyl-6-[(3R)-morpholin-3-yl]-2-nitrophenol
CID 171259722
5-fluoro-2-[(3S)-morpholin-3-yl]phenol
CID 55262699
5-chloro-2-morpholin-3-ylphenol
CID 82613253
3-(1,2,4-oxadiazol-3-yl)morpholine
CID 71757676
(3S)-3-(1,2,4-oxadiazol-3-yl)morpholine
CID 96848893
6-[(3R)-morpholin-3-yl]pyridin-3-ol
CID 55274122
2-[(3R)-morpholin-3-yl]benzene-1,4-diol;hydrochloride
CID 171192528
5-methoxy-2-[(3S)-morpholin-3-yl]phenol
CID 96773573
3-methoxy-4-morpholin-3-ylphenol
CID 130022201

Frequently Asked Questions

What is the IUPAC name of 5-morpholin-3-yl-1,3-benzoxazol-4-ol?
The IUPAC name of 5-morpholin-3-yl-1,3-benzoxazol-4-ol (CID 84787310) is 5-morpholin-3-yl-1,3-benzoxazol-4-ol.
What is the SMILES notation for 5-morpholin-3-yl-1,3-benzoxazol-4-ol?
The canonical SMILES for 5-morpholin-3-yl-1,3-benzoxazol-4-ol is Oc1c(C2COCCN2)ccc2ocnc12.
What is the InChIKey of 5-morpholin-3-yl-1,3-benzoxazol-4-ol?
The InChIKey is DESDNJQTIGGQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-11-7(8-5-15-4-3-12-8)1-2-9-10(11)13-6-16-9/h1-2,6,8,12,14H,3-5H2.
What are the key properties of 5-morpholin-3-yl-1,3-benzoxazol-4-ol?
5-morpholin-3-yl-1,3-benzoxazol-4-ol has a molecular weight of 220.23 g/mol, XLogP of 1.19, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-3-yl-1,3-benzoxazol-4-ol is sourced from PubChem (CID 84787310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).