ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate

C19H25N3O4 — CID 129009308

IUPACethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H25N3O4/c1-2-25-17(23)10-6-7-11-22-12-13-24-14-16(22)19-20-18(21-26-19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyGCXPNRNRCBLPSA-UHFFFAOYSA-N
MW359.43 g/mol
LogP2.84
Rot. Bonds8

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

ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate (PubChem CID 129009308) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate.

Molecular Properties

Compound Nameethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
PubChem CID129009308
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Nameethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate
SMILESCCOC(=O)CCCCN1CCOCC1c1nc(-c2ccccc2)no1
InChIInChI=1S/C19H25N3O4/c1-2-25-17(23)10-6-7-11-22-12-13-24-14-16(22)19-20-18(21-26-19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3
InChIKeyGCXPNRNRCBLPSA-UHFFFAOYSA-N
XLogP2.84
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-[(4-methyl-1H-pyrazol-5-yl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 154741352
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]-2-(4-phenylphenyl)ethanone
CID 119037918
1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]pentan-1-one
CID 4992104
4-[(2-chloro-6-methoxyphenyl)methyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholine
CID 126799625
2-[[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]methyl]benzonitrile
CID 125141312
7-amino-1-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 119770964
5-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]pentan-1-ol
CID 111110263
ethyl 4-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-oxobutanoate
CID 42760428
ethyl 4-(3-formylmorpholin-4-yl)butanoate
CID 170430056
1-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]hexan-1-one
CID 4037944
1-[(3S)-3-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]heptan-1-one
CID 7351261
ethyl 4-[4-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-4-oxobutanoate
CID 42760340

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate?
The IUPAC name of ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate (CID 129009308) is ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate.
What is the SMILES notation for ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate?
The canonical SMILES for ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate is CCOC(=O)CCCCN1CCOCC1c1nc(-c2ccccc2)no1.
What is the InChIKey of ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate?
The InChIKey is GCXPNRNRCBLPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-2-25-17(23)10-6-7-11-22-12-13-24-14-16(22)19-20-18(21-26-19)15-8-4-3-5-9-15/h3-5,8-9,16H,2,6-7,10-14H2,1H3.
What are the key properties of ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate?
ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate has a molecular weight of 359.43 g/mol, XLogP of 2.84, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]pentanoate is sourced from PubChem (CID 129009308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).