3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one

C19H23N3O5 — CID 167811837

IUPAC3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCCOc1ccc(-c2nn(CC(=O)N3CCOCC3C3CC3)c(=O)o2)cc1
InChIInChI=1S/C19H23N3O5/c1-2-26-15-7-5-14(6-8-15)18-20-22(19(24)27-18)11-17(23)21-9-10-25-12-16(21)13-3-4-13/h5-8,13,16H,2-4,9-12H2,1H3
InChIKeyPIFHDOBHWBBVFO-UHFFFAOYSA-N
MW373.41 g/mol
LogP1.54
Rot. Bonds6

About 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one

3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one (PubChem CID 167811837) has the molecular formula C19H23N3O5 and a molecular weight of 373.41 g/mol. Its IUPAC name is 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one
PubChem CID167811837
Molecular FormulaC19H23N3O5
Molecular Weight373.41 g/mol
Exact Mass373.16
IUPAC Name3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one
SMILESCCOc1ccc(-c2nn(CC(=O)N3CCOCC3C3CC3)c(=O)o2)cc1
InChIInChI=1S/C19H23N3O5/c1-2-26-15-7-5-14(6-8-15)18-20-22(19(24)27-18)11-17(23)21-9-10-25-12-16(21)13-3-4-13/h5-8,13,16H,2-4,9-12H2,1H3
InChIKeyPIFHDOBHWBBVFO-UHFFFAOYSA-N
XLogP1.54
TPSA86.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-ethoxyphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9040319
[2-(4-ethoxyphenyl)-2-oxoethyl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46608621
7-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethoxy]-3-(4-methoxyphenyl)chromen-4-one
CID 166201379
3-[2-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-oxoethyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 94487150
5-(4-ethoxyphenyl)-3-[(4-hydroxypiperidin-1-yl)methyl]-1,3,4-oxadiazole-2-thione
CID 9244876
2-(4-ethoxyphenyl)-1-[(2R)-2-[(3S,4R)-4-hydroxyoxan-3-yl]pyrrolidin-1-yl]ethanone
CID 129346671
2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone
CID 71757652
1-(3-cyclopropylmorpholin-4-yl)-2-spiro[6,7-dihydro-1H-imidazo[4,5-c]pyridine-4,4'-oxane]-5-ylethanone
CID 138025112
3-[2-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 95337351
N-ethyl-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(4-phenylmethoxyphenyl)methyl]acetamide
CID 27040470
5-[2-[2-(4-ethoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]pyrazolo[1,5-d][1,2,4]triazin-4-one
CID 139000306
3-[2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-2-oxoethyl]-5-(4-fluorophenyl)-1,3,4-oxadiazol-2-one
CID 39605151

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one (CID 167811837) is 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one is CCOc1ccc(-c2nn(CC(=O)N3CCOCC3C3CC3)c(=O)o2)cc1.
What is the InChIKey of 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one?
The InChIKey is PIFHDOBHWBBVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O5/c1-2-26-15-7-5-14(6-8-15)18-20-22(19(24)27-18)11-17(23)21-9-10-25-12-16(21)13-3-4-13/h5-8,13,16H,2-4,9-12H2,1H3.
What are the key properties of 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one?
3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one has a molecular weight of 373.41 g/mol, XLogP of 1.54, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3-cyclopropylmorpholin-4-yl)-2-oxoethyl]-5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 167811837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).