3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one

C17H18ClN3O4 — CID 126767891

IUPAC3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
SMILESCOCc1nc(C2COCCN2C(=O)C=Cc2cccc(Cl)c2)no1
InChIInChI=1S/C17H18ClN3O4/c1-23-11-15-19-17(20-25-15)14-10-24-8-7-21(14)16(22)6-5-12-3-2-4-13(18)9-12/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyUJRITWAJPNMYAM-UHFFFAOYSA-N
MW363.80 g/mol
LogP2.48
Rot. Bonds5

About 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one

3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one (PubChem CID 126767891) has the molecular formula C17H18ClN3O4 and a molecular weight of 363.80 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
PubChem CID126767891
Molecular FormulaC17H18ClN3O4
Molecular Weight363.80 g/mol
Exact Mass363.10
IUPAC Name3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
SMILESCOCc1nc(C2COCCN2C(=O)C=Cc2cccc(Cl)c2)no1
InChIInChI=1S/C17H18ClN3O4/c1-23-11-15-19-17(20-25-15)14-10-24-8-7-21(14)16(22)6-5-12-3-2-4-13(18)9-12/h2-6,9,14H,7-8,10-11H2,1H3
InChIKeyUJRITWAJPNMYAM-UHFFFAOYSA-N
XLogP2.48
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-(1-benzofuran-2-yl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one
CID 126774120
3-(3-chlorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126769896
(E)-3-(3-chlorophenyl)-1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75470569
1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-2-naphthalen-2-ylethanone
CID 75474958
(E)-3-(3-methoxyphenyl)-1-[3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 75474922
[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]-(2-methyl-4-pyridinyl)methanone
CID 136538138
(1-ethylindol-2-yl)-[(3S)-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 97345254
3-(furan-2-yl)-1-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)morpholin-4-yl]prop-2-en-1-one
CID 126773272
(Z)-3-(3-chlorophenyl)-1-morpholin-4-ylprop-2-en-1-one
CID 93012407
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholine-4-carboxamide
CID 127926168
(E)-3-(3-chlorophenyl)-1-[3-(2-hydroxy-2-thiophen-2-ylethyl)morpholin-4-yl]prop-2-en-1-one
CID 75535810
(3,3-difluorocyclohexyl)-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]methanone
CID 136540499

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one (CID 126767891) is 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one is COCc1nc(C2COCCN2C(=O)C=Cc2cccc(Cl)c2)no1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
The InChIKey is UJRITWAJPNMYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O4/c1-23-11-15-19-17(20-25-15)14-10-24-8-7-21(14)16(22)6-5-12-3-2-4-13(18)9-12/h2-6,9,14H,7-8,10-11H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one?
3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one has a molecular weight of 363.80 g/mol, XLogP of 2.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[3-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]morpholin-4-yl]prop-2-en-1-one is sourced from PubChem (CID 126767891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).