4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine

C16H18ClN3O2 — CID 164673258

IUPAC4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine
SMILESClCc1nnc(-c2ccc(/C=C/CN3CCOCC3)cc2)o1
InChIInChI=1S/C16H18ClN3O2/c17-12-15-18-19-16(22-15)14-5-3-13(4-6-14)2-1-7-20-8-10-21-11-9-20/h1-6H,7-12H2/b2-1+
InChIKeyZAULEZPVANELIJ-OWOJBTEDSA-N
MW319.79 g/mol
LogP2.82
Rot. Bonds5

About 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine

4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine (PubChem CID 164673258) has the molecular formula C16H18ClN3O2 and a molecular weight of 319.79 g/mol. Its IUPAC name is 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine.

Molecular Properties

Compound Name4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine
PubChem CID164673258
Molecular FormulaC16H18ClN3O2
Molecular Weight319.79 g/mol
Exact Mass319.11
IUPAC Name4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine
SMILESClCc1nnc(-c2ccc(/C=C/CN3CCOCC3)cc2)o1
InChIInChI=1S/C16H18ClN3O2/c17-12-15-18-19-16(22-15)14-5-3-13(4-6-14)2-1-7-20-8-10-21-11-9-20/h1-6H,7-12H2/b2-1+
InChIKeyZAULEZPVANELIJ-OWOJBTEDSA-N
XLogP2.82
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 52.82
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

ethane;4-[(E)-3-(4-methylphenyl)prop-2-enyl]morpholine
CID 143719420
4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 121451952
N,N-dimethyl-4-[(E)-3-morpholin-4-ylprop-1-enyl]aniline
CID 30981297
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
2-(chloromethyl)-5-(4-isocyanophenyl)-1,3,4-oxadiazole
CID 88854660
1-[4-(3-morpholin-4-ylprop-1-enyl)phenyl]-1,2,4-triazole-3,5-diamine
CID 66694812
4-[5-(2-morpholin-4-ylethylsulfanylmethyl)-1,3,4-oxadiazol-2-yl]benzonitrile
CID 75393588
4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-oxazepan-5-one
CID 72936466
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (E)-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-enoate
CID 42004038
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 18271596

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine?
The IUPAC name of 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine (CID 164673258) is 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine.
What is the SMILES notation for 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine?
The canonical SMILES for 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine is ClCc1nnc(-c2ccc(/C=C/CN3CCOCC3)cc2)o1.
What is the InChIKey of 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine?
The InChIKey is ZAULEZPVANELIJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C16H18ClN3O2/c17-12-15-18-19-16(22-15)14-5-3-13(4-6-14)2-1-7-20-8-10-21-11-9-20/h1-6H,7-12H2/b2-1+.
What are the key properties of 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine?
4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine has a molecular weight of 319.79 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-[4-[5-(chloromethyl)-1,3,4-oxadiazol-2-yl]phenyl]prop-2-enyl]morpholine is sourced from PubChem (CID 164673258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).