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

C15H18FN3O2 — CID 166225866

IUPAC4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(Cc3ccc(F)cc3C)CCO2)o1
InChIInChI=1S/C15H18FN3O2/c1-10-7-13(16)4-3-12(10)8-19-5-6-20-14(9-19)15-18-17-11(2)21-15/h3-4,7,14H,5-6,8-9H2,1-2H3
InChIKeyPFFONLSVCPVXCX-UHFFFAOYSA-N
MW291.33 g/mol
LogP2.40
Rot. Bonds3

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

4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (PubChem CID 166225866) has the molecular formula C15H18FN3O2 and a molecular weight of 291.33 g/mol. Its IUPAC name is 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.

Molecular Properties

Compound Name4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
PubChem CID166225866
Molecular FormulaC15H18FN3O2
Molecular Weight291.33 g/mol
Exact Mass291.14
IUPAC Name4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
SMILESCc1nnc(C2CN(Cc3ccc(F)cc3C)CCO2)o1
InChIInChI=1S/C15H18FN3O2/c1-10-7-13(16)4-3-12(10)8-19-5-6-20-14(9-19)15-18-17-11(2)21-15/h3-4,7,14H,5-6,8-9H2,1-2H3
InChIKeyPFFONLSVCPVXCX-UHFFFAOYSA-N
XLogP2.40
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.33
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydro-1-benzofuran-7-ylmethyl)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 166257373
3-[[2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]methyl]-1H-quinolin-2-one
CID 166225874
methyl 4-[(4-fluoro-2-methylphenyl)methyl]morpholine-2-carboxylate
CID 115882746
(2R)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(5-methyl-1,2,4-oxadiazol-3-yl)morpholine
CID 97316109
(4aS,8aS)-6-[(4-fluoro-2-methylphenyl)methyl]-4-methyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[4,3-b][1,4]oxazine
CID 98895472
(2S)-4-[(2-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrimidin-4-yl)morpholine
CID 124962421
(3R,4S)-1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidine-3,4-diol
CID 103887198
(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 124963019
1-[(2R)-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholin-4-yl]-2-(2,4,5-trifluorophenyl)ethanone
CID 129327013
N-[(4-fluoro-2-methylphenyl)methyl]-5-methyl-1,3,4-oxadiazol-2-amine
CID 115924781
(3S)-1-[(4-fluoro-2-methylphenyl)methyl]piperidin-3-amine
CID 24904859
[1-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-3-yl]methanamine
CID 62134988

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The IUPAC name of 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine (CID 166225866) is 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine.
What is the SMILES notation for 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The canonical SMILES for 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is Cc1nnc(C2CN(Cc3ccc(F)cc3C)CCO2)o1.
What is the InChIKey of 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
The InChIKey is PFFONLSVCPVXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O2/c1-10-7-13(16)4-3-12(10)8-19-5-6-20-14(9-19)15-18-17-11(2)21-15/h3-4,7,14H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine?
4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine has a molecular weight of 291.33 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine is sourced from PubChem (CID 166225866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).