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

C19H17F2N3O2 — CID 92575817

IUPAC(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1F
InChIInChI=1S/C19H17F2N3O2/c20-15-7-6-13(10-16(15)21)11-24-8-9-25-17(12-24)19-22-18(23-26-19)14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2/t17-/m0/s1
InChIKeyIOHPFUWZZQAEMH-KRWDZBQOSA-N
MW357.36 g/mol
LogP3.59
Rot. Bonds4

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

(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (PubChem CID 92575817) has the molecular formula C19H17F2N3O2 and a molecular weight of 357.36 g/mol. Its IUPAC name is (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.

Molecular Properties

Compound Name(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
PubChem CID92575817
Molecular FormulaC19H17F2N3O2
Molecular Weight357.36 g/mol
Exact Mass357.13
IUPAC Name(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
SMILESFc1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1F
InChIInChI=1S/C19H17F2N3O2/c20-15-7-6-13(10-16(15)21)11-24-8-9-25-17(12-24)19-22-18(23-26-19)14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2/t17-/m0/s1
InChIKeyIOHPFUWZZQAEMH-KRWDZBQOSA-N
XLogP3.59
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.36
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-fluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956712
(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
CID 92575825
4-[(3-methoxyphenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 46956717
(2R)-2-[3-(3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-4-propan-2-ylmorpholine
CID 124733566
(2S)-4-(3-fluorophenyl)sulfonyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 92575837
2-[4-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]phenyl]benzoic acid
CID 124976748
(2S)-2-[3-[3-(morpholin-4-ylmethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholine
CID 120840399
5-[(3S)-1-benzylpyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95849667
4-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(4-fluorophenyl)morpholine
CID 55566054
1-[5-(4-benzylmorpholin-2-yl)-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865042
2-(4-fluorophenyl)-1-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 142778838
5-[(3S)-1-[(3-fluorophenyl)methyl]pyrrolidin-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 92568601

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The IUPAC name of (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine (CID 92575817) is (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine.
What is the SMILES notation for (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The canonical SMILES for (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is Fc1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1F.
What is the InChIKey of (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
The InChIKey is IOHPFUWZZQAEMH-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17F2N3O2/c20-15-7-6-13(10-16(15)21)11-24-8-9-25-17(12-24)19-22-18(23-26-19)14-4-2-1-3-5-14/h1-7,10,17H,8-9,11-12H2/t17-/m0/s1.
What are the key properties of (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine?
(2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine has a molecular weight of 357.36 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(3,4-difluorophenyl)methyl]-2-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine is sourced from PubChem (CID 92575817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).