2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole

C18H17FN2O2 — CID 133330508

IUPAC2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
SMILESCC1CN(c2nc3ccccc3o2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C18H17FN2O2/c1-12-10-21(18-20-15-4-2-3-5-16(15)23-18)11-17(22-12)13-6-8-14(19)9-7-13/h2-9,12,17H,10-11H2,1H3
InChIKeyQKFDMBWMQMHVKT-UHFFFAOYSA-N
MW312.34 g/mol
LogP3.93
Rot. Bonds2

About 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole

2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole (PubChem CID 133330508) has the molecular formula C18H17FN2O2 and a molecular weight of 312.34 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
PubChem CID133330508
Molecular FormulaC18H17FN2O2
Molecular Weight312.34 g/mol
Exact Mass312.13
IUPAC Name2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole
SMILESCC1CN(c2nc3ccccc3o2)CC(c2ccc(F)cc2)O1
InChIInChI=1S/C18H17FN2O2/c1-12-10-21(18-20-15-4-2-3-5-16(15)23-18)11-17(22-12)13-6-8-14(19)9-7-13/h2-9,12,17H,10-11H2,1H3
InChIKeyQKFDMBWMQMHVKT-UHFFFAOYSA-N
XLogP3.93
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-2-yl)pyrrolidine-3,4-diol
CID 106673452
4-(6-chloropyrazin-2-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330542
2-(4-fluorophenyl)-6-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]morpholine
CID 133330469
4-(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)-2-(4-fluorophenyl)-6-methylmorpholine
CID 133330399
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]pyridine-3-carbonitrile
CID 133330522
(2R,6R)-2-(4-fluorophenyl)-6-methyl-4-(5-pyridin-2-yl-1,3,4-thiadiazol-2-yl)morpholine
CID 100687721
2-[(5R)-5-methyl-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 174972137
2-fluoro-6-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]benzonitrile
CID 133330519
2-[4-[(2,6-difluorophenyl)methyl]piperazin-1-yl]-1,3-benzoxazole
CID 126770624
2-(4-fluorophenyl)-6-methyl-4-[6-(3-methylpyrazol-1-yl)pyridazin-3-yl]morpholine
CID 133330395
2-[4-(1,3-benzoxazol-2-yl)-1,4-diazepan-1-yl]-1,3-benzoxazole
CID 14792326
2-[3-(4-propan-2-ylpiperazin-1-yl)azetidin-1-yl]-1,3-benzoxazole
CID 126892246

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole?
The IUPAC name of 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole (CID 133330508) is 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole is CC1CN(c2nc3ccccc3o2)CC(c2ccc(F)cc2)O1.
What is the InChIKey of 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole?
The InChIKey is QKFDMBWMQMHVKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O2/c1-12-10-21(18-20-15-4-2-3-5-16(15)23-18)11-17(22-12)13-6-8-14(19)9-7-13/h2-9,12,17H,10-11H2,1H3.
What are the key properties of 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole?
2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole has a molecular weight of 312.34 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)-6-methylmorpholin-4-yl]-1,3-benzoxazole is sourced from PubChem (CID 133330508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).