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

C14H14Cl2FN3O2 — CID 95303237

IUPAC(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCc1nnc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)o1
InChIInChI=1S/C14H14Cl2FN3O2/c1-8-18-19-14(22-8)7-20-2-3-21-13(6-20)9-4-12(17)11(16)5-10(9)15/h4-5,13H,2-3,6-7H2,1H3/t13-/m1/s1
InChIKeyXXHPSXOLHCGWBK-CYBMUJFWSA-N
MW346.19 g/mol
LogP3.40
Rot. Bonds3

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

(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (PubChem CID 95303237) has the molecular formula C14H14Cl2FN3O2 and a molecular weight of 346.19 g/mol. Its IUPAC name is (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
PubChem CID95303237
Molecular FormulaC14H14Cl2FN3O2
Molecular Weight346.19 g/mol
Exact Mass345.04
IUPAC Name(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
SMILESCc1nnc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)o1
InChIInChI=1S/C14H14Cl2FN3O2/c1-8-18-19-14(22-8)7-20-2-3-21-13(6-20)9-4-12(17)11(16)5-10(9)15/h4-5,13H,2-3,6-7H2,1H3/t13-/m1/s1
InChIKeyXXHPSXOLHCGWBK-CYBMUJFWSA-N
XLogP3.40
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine
CID 124505775
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(1-methylimidazol-2-yl)methyl]morpholine
CID 95303821
2-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]ethanol;hydrochloride
CID 141261156
4-[(2R)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-ol
CID 95339618
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
CID 138959744
(2R)-2-[(2S)-2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]propanamide
CID 99103788
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2,3,5-trimethylphenoxy)propan-2-ol;hydrochloride
CID 138959756
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
4-[(4-fluoro-2-methylphenyl)methyl]-2-(5-methyl-1,3,4-oxadiazol-2-yl)morpholine
CID 166225866
2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine
CID 133292461
7-chloro-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 91798133
2-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-methoxypropan-1-one;hydrochloride
CID 120989276

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The IUPAC name of (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine (CID 95303237) is (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The canonical SMILES for (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is Cc1nnc(CN2CCO[C@@H](c3cc(F)c(Cl)cc3Cl)C2)o1.
What is the InChIKey of (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
The InChIKey is XXHPSXOLHCGWBK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H14Cl2FN3O2/c1-8-18-19-14(22-8)7-20-2-3-21-13(6-20)9-4-12(17)11(16)5-10(9)15/h4-5,13H,2-3,6-7H2,1H3/t13-/m1/s1.
What are the key properties of (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine?
(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine has a molecular weight of 346.19 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine is sourced from PubChem (CID 95303237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).