(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine

C14H16FN3O2 — CID 36874411

IUPAC(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCc1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1
InChIInChI=1S/C14H16FN3O2/c1-10-16-14(20-17-10)9-18-6-7-19-13(8-18)11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyBYZVMDPYXCKYDL-CYBMUJFWSA-N
MW277.30 g/mol
LogP2.09
Rot. Bonds3

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

(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (PubChem CID 36874411) has the molecular formula C14H16FN3O2 and a molecular weight of 277.30 g/mol. Its IUPAC name is (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
PubChem CID36874411
Molecular FormulaC14H16FN3O2
Molecular Weight277.30 g/mol
Exact Mass277.12
IUPAC Name(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
SMILESCc1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1
InChIInChI=1S/C14H16FN3O2/c1-10-16-14(20-17-10)9-18-6-7-19-13(8-18)11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m1/s1
InChIKeyBYZVMDPYXCKYDL-CYBMUJFWSA-N
XLogP2.09
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
CID 36875134
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
2-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]phenol
CID 154795509
(2R)-2-(2-chloro-4-fluorophenyl)-4-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 124619834
2-(4-fluorophenyl)-4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)methyl]morpholine
CID 126771666
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
CID 95323433
5-[[4-[2-(4-fluorophenyl)propyl]piperazin-1-yl]methyl]-3-methyl-1,2,4-oxadiazole
CID 86804175
5-[[2-(4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120898617
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 47054231
[3-[[2-(3,4-difluorophenyl)morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120751685
2-[[(2R)-2-(4-fluorophenyl)morpholin-4-yl]methyl]-4,5-dimethoxyphenol
CID 97063266

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine (CID 36874411) is (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is Cc1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1.
What is the InChIKey of (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
The InChIKey is BYZVMDPYXCKYDL-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16FN3O2/c1-10-16-14(20-17-10)9-18-6-7-19-13(8-18)11-2-4-12(15)5-3-11/h2-5,13H,6-9H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine?
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine has a molecular weight of 277.30 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine is sourced from PubChem (CID 36874411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).