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

C14H15ClFN3O2 — CID 82788109

IUPAC2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESFc1c(Cl)cccc1Cc1noc(CC2CNCCO2)n1
InChIInChI=1S/C14H15ClFN3O2/c15-11-3-1-2-9(14(11)16)6-12-18-13(21-19-12)7-10-8-17-4-5-20-10/h1-3,10,17H,4-8H2
InChIKeyOEFQFRWLTZHTEX-UHFFFAOYSA-N
MW311.74 g/mol
LogP1.98
Rot. Bonds4

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

2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine (PubChem CID 82788109) has the molecular formula C14H15ClFN3O2 and a molecular weight of 311.74 g/mol. Its IUPAC name is 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine.

Molecular Properties

Compound Name2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
PubChem CID82788109
Molecular FormulaC14H15ClFN3O2
Molecular Weight311.74 g/mol
Exact Mass311.08
IUPAC Name2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
SMILESFc1c(Cl)cccc1Cc1noc(CC2CNCCO2)n1
InChIInChI=1S/C14H15ClFN3O2/c15-11-3-1-2-9(14(11)16)6-12-18-13(21-19-12)7-10-8-17-4-5-20-10/h1-3,10,17H,4-8H2
InChIKeyOEFQFRWLTZHTEX-UHFFFAOYSA-N
XLogP1.98
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.74
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-[(2-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66433459
2-[[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine;hydrochloride
CID 119948005
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 66434031
2-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 79405738
2-[[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434620
2-[[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 104880695
4-[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 82806983
N-[(3-chloro-2-fluorophenyl)methyl]-2-morpholin-2-ylacetamide
CID 77082307
1-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]pyrazol-4-amine
CID 82790118
(2S)-2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine
CID 124511228
2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434616
3-[(2-chlorophenyl)methyl]-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole;hydrochloride
CID 119947691

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The IUPAC name of 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine (CID 82788109) is 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine.
What is the SMILES notation for 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The canonical SMILES for 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine is Fc1c(Cl)cccc1Cc1noc(CC2CNCCO2)n1.
What is the InChIKey of 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine?
The InChIKey is OEFQFRWLTZHTEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3O2/c15-11-3-1-2-9(14(11)16)6-12-18-13(21-19-12)7-10-8-17-4-5-20-10/h1-3,10,17H,4-8H2.
What are the key properties of 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine?
2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine has a molecular weight of 311.74 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3-chloro-2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]morpholine is sourced from PubChem (CID 82788109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).