(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine

C17H17N3O3 — CID 95323433

IUPAC(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
SMILESc1ccc([C@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)cc1
InChIInChI=1S/C17H17N3O3/c1-2-4-13(5-3-1)15-10-20(7-9-22-15)11-16-18-17(19-23-16)14-6-8-21-12-14/h1-6,8,12,15H,7,9-11H2/t15-/m1/s1
InChIKeyFZTGUMDHVJKTQU-OAHLLOKOSA-N
MW311.34 g/mol
LogP2.90
Rot. Bonds4

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

(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine (PubChem CID 95323433) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine.

Molecular Properties

Compound Name(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
PubChem CID95323433
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine
SMILESc1ccc([C@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)cc1
InChIInChI=1S/C17H17N3O3/c1-2-4-13(5-3-1)15-10-20(7-9-22-15)11-16-18-17(19-23-16)14-6-8-21-12-14/h1-6,8,12,15H,7,9-11H2/t15-/m1/s1
InChIKeyFZTGUMDHVJKTQU-OAHLLOKOSA-N
XLogP2.90
TPSA64.53 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
(2S)-2-(4-methyl-1,3-thiazol-2-yl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 95136032
2-(4-chlorophenyl)-4-[(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 47054231
2-[2-(2-methoxyethyl)tetrazol-5-yl]-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 155914582
2-(1-ethylpyrazol-4-yl)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 126804830
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-phenylmorpholine
CID 51076931
(2S)-2-(4-fluorophenyl)-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 36874411
(2S)-1-[(2R)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylpiperazin-1-yl]propan-2-ol
CID 124778927
4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 17452098
(2S)-4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]-2-(4-fluorophenyl)morpholine
CID 36875134
(2R)-4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-methyl-1,3-thiazol-2-yl)morpholine
CID 95138390
(2R)-4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylmorpholine
CID 33026890

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine?
The IUPAC name of (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine (CID 95323433) is (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine.
What is the SMILES notation for (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine?
The canonical SMILES for (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine is c1ccc([C@H]2CN(Cc3nc(-c4ccoc4)no3)CCO2)cc1.
What is the InChIKey of (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine?
The InChIKey is FZTGUMDHVJKTQU-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-4-13(5-3-1)15-10-20(7-9-22-15)11-16-18-17(19-23-16)14-6-8-21-12-14/h1-6,8,12,15H,7,9-11H2/t15-/m1/s1.
What are the key properties of (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine?
(2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine has a molecular weight of 311.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-phenylmorpholine is sourced from PubChem (CID 95323433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).