(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

C18H16FN3O2 — CID 95557093

IUPAC(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1ccc([C@@H]2CN(c3nc(-c4ccccc4)no3)CCO2)cc1
InChIInChI=1S/C18H16FN3O2/c19-15-8-6-13(7-9-15)16-12-22(10-11-23-16)18-20-17(21-24-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-/m0/s1
InChIKeyKYJULPUAIREXJL-INIZCTEOSA-N
MW325.34 g/mol
LogP3.45
Rot. Bonds3

About (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine

(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 95557093) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID95557093
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1ccc([C@@H]2CN(c3nc(-c4ccccc4)no3)CCO2)cc1
InChIInChI=1S/C18H16FN3O2/c19-15-8-6-13(7-9-15)16-12-22(10-11-23-16)18-20-17(21-24-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-/m0/s1
InChIKeyKYJULPUAIREXJL-INIZCTEOSA-N
XLogP3.45
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[4-(4-fluorophenyl)piperazin-1-yl]-3-phenyl-1,2,4-oxadiazole
CID 46342013
4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956712
3-(4-fluorophenyl)-5-piperidin-1-yl-1,2,4-oxadiazole;hydrochloride
CID 142694106
(2S)-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-(1-methylpyrazol-4-yl)morpholine
CID 95974531
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
[4-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,4-oxazepan-6-yl]methanol
CID 70705763
5-(3-methylpiperidin-1-yl)-3-phenyl-1,2,4-oxadiazole
CID 46342002
(2R)-4-(4,5-dihydro-1H-imidazol-2-yl)-2-[4-(4-fluorophenyl)phenyl]morpholine
CID 155405578
4-(4,5-dihydro-1H-imidazol-2-yl)-2-(4-phenylphenyl)morpholine
CID 155405830
[2-(4-fluorophenyl)morpholin-4-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 70743890
[2-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]phenyl]methanamine
CID 167887457
4-[3-[2-(4-fluorophenyl)morpholin-4-yl]-2-hydroxypropyl]-3-phenyl-1,2,4-oxadiazol-5-one
CID 71878861

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 95557093) is (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is Fc1ccc([C@@H]2CN(c3nc(-c4ccccc4)no3)CCO2)cc1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is KYJULPUAIREXJL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-8-6-13(7-9-15)16-12-22(10-11-23-16)18-20-17(21-24-18)14-4-2-1-3-5-14/h1-9,16H,10-12H2/t16-/m0/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
(2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 325.34 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 95557093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).