2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

C14H16FN3O2 — CID 126827008

IUPAC2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOC(c3ccc(F)c(C)c3)C2)o1
InChIInChI=1S/C14H16FN3O2/c1-9-7-11(3-4-12(9)15)13-8-18(5-6-19-13)14-17-16-10(2)20-14/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyNAMGCOCCKWSJNT-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.40
Rot. Bonds2

About 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine

2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 126827008) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID126827008
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(N2CCOC(c3ccc(F)c(C)c3)C2)o1
InChIInChI=1S/C14H16FN3O2/c1-9-7-11(3-4-12(9)15)13-8-18(5-6-19-13)14-17-16-10(2)20-14/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyNAMGCOCCKWSJNT-UHFFFAOYSA-N
XLogP2.40
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(5-Methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine
CID 71981584
2-(4-Fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-YL)morpholine
CID 72847711
1-(5-Methyl-1,3,4-oxadiazol-2-YL)-4-[3-(trifluoromethyl)phenyl]piperidin-4-OL
CID 72862978
2-Cyclopropyl-5-{3-[(2-fluorobenzyl)oxy]azetidin-1-yl}-1,3,4-oxadiazole
CID 72921626
(2R)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188854
(2S)-2-(4-fluorophenyl)-4-(5-propyl-1,3,4-oxadiazol-2-yl)morpholine
CID 97188855
(2R)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine
CID 97588245
(2S)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-2-[3-(trifluoromethyl)phenyl]morpholine
CID 97588246
2-(4-Fluorophenyl)-4-{[(5-methyl-1,3,4-oxadiazol-2-yl)thio]acetyl}morpholine
CID 118793135
1-[(2S)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 125179535
1-[(2R)-2-(4-fluorophenyl)morpholin-4-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
CID 125179537
4-(5-Methyl-1,3,4-oxadiazol-2-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
CID 126803663

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 126827008) is 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc(N2CCOC(c3ccc(F)c(C)c3)C2)o1.
What is the InChIKey of 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is NAMGCOCCKWSJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-9-7-11(3-4-12(9)15)13-8-18(5-6-19-13)14-17-16-10(2)20-14/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 277.30 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluoro-3-methylphenyl)-4-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 126827008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).