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

C15H15Cl2FN2O2 — CID 124505775

IUPAC(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine
SMILESCc1cnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1
InChIInChI=1S/C15H15Cl2FN2O2/c1-9-6-19-15(22-9)8-20-2-3-21-14(7-20)10-4-13(18)12(17)5-11(10)16/h4-6,14H,2-3,7-8H2,1H3/t14-/m0/s1
InChIKeyNUJATBXAGXAJJW-AWEZNQCLSA-N
MW345.20 g/mol
LogP4.00
Rot. Bonds3

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

(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine (PubChem CID 124505775) has the molecular formula C15H15Cl2FN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine.

Molecular Properties

Compound Name(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine
PubChem CID124505775
Molecular FormulaC15H15Cl2FN2O2
Molecular Weight345.20 g/mol
Exact Mass344.05
IUPAC Name(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine
SMILESCc1cnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1
InChIInChI=1S/C15H15Cl2FN2O2/c1-9-6-19-15(22-9)8-20-2-3-21-14(7-20)10-4-13(18)12(17)5-11(10)16/h4-6,14H,2-3,7-8H2,1H3/t14-/m0/s1
InChIKeyNUJATBXAGXAJJW-AWEZNQCLSA-N
XLogP4.00
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]morpholine
CID 95303237
(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
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]-3-(3-methyl-4-propan-2-ylphenoxy)propan-2-ol;hydrochloride
CID 138959772
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(4-propylphenoxy)propan-2-ol
CID 138959811
2-(2,4-dichloro-5-fluorophenyl)-4-pyridin-2-ylmorpholine
CID 133292461
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-2-(methylamino)ethanone;hydrochloride
CID 119777407
5-[[2-(2-chloro-4-fluorophenyl)morpholin-4-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120904693
3-amino-1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]butan-1-one;hydrochloride
CID 119777421

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine?
The IUPAC name of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine (CID 124505775) is (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine.
What is the SMILES notation for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine?
The canonical SMILES for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine is Cc1cnc(CN2CCO[C@H](c3cc(F)c(Cl)cc3Cl)C2)o1.
What is the InChIKey of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine?
The InChIKey is NUJATBXAGXAJJW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H15Cl2FN2O2/c1-9-6-19-15(22-9)8-20-2-3-21-14(7-20)10-4-13(18)12(17)5-11(10)16/h4-6,14H,2-3,7-8H2,1H3/t14-/m0/s1.
What are the key properties of (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine?
(2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine has a molecular weight of 345.20 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4-dichloro-5-fluorophenyl)-4-[(5-methyl-1,3-oxazol-2-yl)methyl]morpholine is sourced from PubChem (CID 124505775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).