2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone

C23H26N4O4 — CID 46956749

IUPAC2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCOC(c3nc(-c4cccnc4)no3)C2)cc1
InChIInChI=1S/C23H26N4O4/c1-23(2,3)17-6-8-18(9-7-17)30-15-20(28)27-11-12-29-19(14-27)22-25-21(26-31-22)16-5-4-10-24-13-16/h4-10,13,19H,11-12,14-15H2,1-3H3
InChIKeyUNXHGBRORDFQFZ-UHFFFAOYSA-N
MW422.49 g/mol
LogP3.41
Rot. Bonds5

About 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone

2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone (PubChem CID 46956749) has the molecular formula C23H26N4O4 and a molecular weight of 422.49 g/mol. Its IUPAC name is 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
PubChem CID46956749
Molecular FormulaC23H26N4O4
Molecular Weight422.49 g/mol
Exact Mass422.20
IUPAC Name2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone
SMILESCC(C)(C)c1ccc(OCC(=O)N2CCOC(c3nc(-c4cccnc4)no3)C2)cc1
InChIInChI=1S/C23H26N4O4/c1-23(2,3)17-6-8-18(9-7-17)30-15-20(28)27-11-12-29-19(14-27)22-25-21(26-31-22)16-5-4-10-24-13-16/h4-10,13,19H,11-12,14-15H2,1-3H3
InChIKeyUNXHGBRORDFQFZ-UHFFFAOYSA-N
XLogP3.41
TPSA90.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone with MolForge

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Related Compounds

3-(1-methylindol-3-yl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]propan-1-one
CID 110242946
2-(4-tert-butylphenoxy)-1-[2-(4-methylphenyl)morpholin-4-yl]ethanone
CID 121134838
1-[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 110112558
2-phenoxy-1-[2-(5-pyrimidin-5-yl-2-pyridinyl)morpholin-4-yl]ethanone
CID 127250284
2-(1,3-dihydroisoindol-2-yl)-1-[(2R)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600444
2-(1,3-dihydroisoindol-2-yl)-1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 92600443
1-[(2R)-2-[3-(dimethylamino)pyrazin-2-yl]morpholin-4-yl]-2-pyridin-3-yloxyethanone
CID 124955840
2-(4-methoxyphenoxy)-1-[(2S)-2-phenylmorpholin-4-yl]ethanone
CID 25281339
2-(4-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 25281342
2-(4-ethoxyphenyl)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 110225003
1-[2-(6-amino-2-pyridinyl)morpholin-4-yl]-2-(4-methoxyphenoxy)ethanone
CID 110112348
(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)-4-(pyridin-3-ylmethyl)morpholine
CID 92575825

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The IUPAC name of 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone (CID 46956749) is 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone is CC(C)(C)c1ccc(OCC(=O)N2CCOC(c3nc(-c4cccnc4)no3)C2)cc1.
What is the InChIKey of 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
The InChIKey is UNXHGBRORDFQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4/c1-23(2,3)17-6-8-18(9-7-17)30-15-20(28)27-11-12-29-19(14-27)22-25-21(26-31-22)16-5-4-10-24-13-16/h4-10,13,19H,11-12,14-15H2,1-3H3.
What are the key properties of 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone?
2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone has a molecular weight of 422.49 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenoxy)-1-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)morpholin-4-yl]ethanone is sourced from PubChem (CID 46956749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).