[4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone

C14H14ClN3O3 — CID 25219261

IUPAC[4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2noc(CCl)n2)cc1)N1CCOCC1
InChIInChI=1S/C14H14ClN3O3/c15-9-12-16-13(17-21-12)10-1-3-11(4-2-10)14(19)18-5-7-20-8-6-18/h1-4H,5-9H2
InChIKeyXCZQHIOUZOHRII-UHFFFAOYSA-N
MW307.74 g/mol
LogP1.95
Rot. Bonds3

About [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone

[4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 25219261) has the molecular formula C14H14ClN3O3 and a molecular weight of 307.74 g/mol. Its IUPAC name is [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID25219261
Molecular FormulaC14H14ClN3O3
Molecular Weight307.74 g/mol
Exact Mass307.07
IUPAC Name[4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(-c2noc(CCl)n2)cc1)N1CCOCC1
InChIInChI=1S/C14H14ClN3O3/c15-9-12-16-13(17-21-12)10-1-3-11(4-2-10)14(19)18-5-7-20-8-6-18/h1-4H,5-9H2
InChIKeyXCZQHIOUZOHRII-UHFFFAOYSA-N
XLogP1.95
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 51.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-4-carboxamide
CID 6485256
1-morpholin-4-yl-3-[3-(4-phenylphenyl)-1,2,4-oxadiazol-5-yl]propan-1-one
CID 100762654
4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-N-methylbenzamide
CID 25219267
[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-morpholin-4-ylmethanone
CID 31695976
morpholin-4-yl-[4-(2H-tetrazol-5-yl)phenyl]methanone
CID 32686320
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 53015117
[4-(4-methoxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 3530238
[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-piperidin-1-ylmethanone
CID 53004915
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795

Frequently Asked Questions

What is the IUPAC name of [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone (CID 25219261) is [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(-c2noc(CCl)n2)cc1)N1CCOCC1.
What is the InChIKey of [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is XCZQHIOUZOHRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O3/c15-9-12-16-13(17-21-12)10-1-3-11(4-2-10)14(19)18-5-7-20-8-6-18/h1-4H,5-9H2.
What are the key properties of [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone?
[4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 307.74 g/mol, XLogP of 1.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 25219261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).