7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole

C12H13FN2O2 — CID 83859336

IUPAC7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole
SMILESFc1cccc2nc(CC3COCCN3)oc12
InChIInChI=1S/C12H13FN2O2/c13-9-2-1-3-10-12(9)17-11(15-10)6-8-7-16-5-4-14-8/h1-3,8,14H,4-7H2
InChIKeyNGZNATJUZVJSSR-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.50
Rot. Bonds2

About 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole

7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole (PubChem CID 83859336) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole.

Molecular Properties

Compound Name7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole
PubChem CID83859336
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole
SMILESFc1cccc2nc(CC3COCCN3)oc12
InChIInChI=1S/C12H13FN2O2/c13-9-2-1-3-10-12(9)17-11(15-10)6-8-7-16-5-4-14-8/h1-3,8,14H,4-7H2
InChIKeyNGZNATJUZVJSSR-UHFFFAOYSA-N
XLogP1.50
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(7-fluoro-1-methylbenzimidazol-2-yl)methyl]morpholine
CID 112741025
3-[(2-chloro-6-fluorophenyl)methyl]morpholine
CID 82288651
3-[2-(2,6-difluorophenyl)ethyl]morpholine
CID 104704070
3-(naphthalen-1-ylmethyl)morpholine
CID 66932689
3-(naphthalen-1-ylmethyl)morpholine;hydrochloride
CID 129319991
3-[[3-(3-bromo-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 82800313
2-(2,6-difluorophenyl)-1-morpholin-3-ylpropan-2-ol
CID 113462063
2-fluoro-6-hydroxy-N-(morpholin-3-ylmethyl)benzamide
CID 107016112
N-(morpholin-3-ylmethyl)quinolin-2-amine
CID 103549165
(3R)-3-[(2-fluoro-5-pyrimidin-2-ylphenyl)methyl]morpholine;hydrochloride
CID 118117299
2-methyl-N-(morpholin-3-ylmethyl)quinolin-4-amine
CID 103549152
3-[(2,3-dichlorophenyl)methyl]morpholine
CID 82294990

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole?
The IUPAC name of 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole (CID 83859336) is 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole.
What is the SMILES notation for 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole?
The canonical SMILES for 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole is Fc1cccc2nc(CC3COCCN3)oc12.
What is the InChIKey of 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole?
The InChIKey is NGZNATJUZVJSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c13-9-2-1-3-10-12(9)17-11(15-10)6-8-7-16-5-4-14-8/h1-3,8,14H,4-7H2.
What are the key properties of 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole?
7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole has a molecular weight of 236.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(morpholin-3-ylmethyl)-1,3-benzoxazole is sourced from PubChem (CID 83859336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).