1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C17H23FN4O2 — CID 120869574

IUPAC1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C(c2ccccc2F)N2CCOCC2)n1
InChIInChI=1S/C17H23FN4O2/c1-12(19-2)11-15-20-17(24-21-15)16(22-7-9-23-10-8-22)13-5-3-4-6-14(13)18/h3-6,12,16,19H,7-11H2,1-2H3
InChIKeyPSPVDRQCZNJTRM-UHFFFAOYSA-N
MW334.39 g/mol
LogP1.78
Rot. Bonds6

About 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120869574) has the molecular formula C17H23FN4O2 and a molecular weight of 334.39 g/mol. Its IUPAC name is 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120869574
Molecular FormulaC17H23FN4O2
Molecular Weight334.39 g/mol
Exact Mass334.18
IUPAC Name1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C(c2ccccc2F)N2CCOCC2)n1
InChIInChI=1S/C17H23FN4O2/c1-12(19-2)11-15-20-17(24-21-15)16(22-7-9-23-10-8-22)13-5-3-4-6-14(13)18/h3-6,12,16,19H,7-11H2,1-2H3
InChIKeyPSPVDRQCZNJTRM-UHFFFAOYSA-N
XLogP1.78
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine with MolForge

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Related Compounds

2-(2-fluorophenyl)-N-[2-(methylamino)propyl]-2-morpholin-4-ylacetamide
CID 120826501
4-[(1S)-1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethyl]morpholine
CID 167878298
1-[5-[(3-chloro-4-fluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868278
N-methyl-1-[5-[methylsulfanyl(phenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869477
1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865529
N-methyl-1-[5-(1-phenylsulfanylpropyl)-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120868307
N-[1-(2-fluorophenyl)ethyl]morpholin-4-amine
CID 83009394
2-(2-fluorophenyl)-N-(5-methyl-1,2-oxazol-3-yl)-2-morpholin-4-ylacetamide
CID 167824561
1-[5-[1-(2-bromophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868882
1-[5-[1-(2-fluorophenyl)-5-propan-2-yl-1,2,4-triazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867148
2-(2-fluorophenyl)-2-morpholin-4-ylacetonitrile;hydrochloride
CID 45261443
1-[5-[[ethyl(methyl)amino]-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867041

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120869574) is 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(C(c2ccccc2F)N2CCOCC2)n1.
What is the InChIKey of 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is PSPVDRQCZNJTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4O2/c1-12(19-2)11-15-20-17(24-21-15)16(22-7-9-23-10-8-22)13-5-3-4-6-14(13)18/h3-6,12,16,19H,7-11H2,1-2H3.
What are the key properties of 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 334.39 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-fluorophenyl)-morpholin-4-ylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120869574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).