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

C19H17N3O3 — CID 2019832

IUPACmorpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCOCC1
InChIInChI=1S/C19H17N3O3/c23-19(22-10-12-24-13-11-22)16-9-5-4-8-15(16)18-20-17(21-25-18)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyQIUPMRNIFGBCHD-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.88
Rot. Bonds3

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

morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 2019832) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID2019832
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Namemorpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESO=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCOCC1
InChIInChI=1S/C19H17N3O3/c23-19(22-10-12-24-13-11-22)16-9-5-4-8-15(16)18-20-17(21-25-18)14-6-2-1-3-7-14/h1-9H,10-13H2
InChIKeyQIUPMRNIFGBCHD-UHFFFAOYSA-N
XLogP2.88
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(3-Phenyl-1,2,4-oxadiazol-5-yl)phenyl]-pyrrolidin-1-ylmethanone
CID 665477
N-ethyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 3737087
2-(3-Phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 666146
2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 665413
2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 665439
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxolan-2-ylmethyl)benzamide
CID 665465
[2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 665605
N-(oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665612
[2-[3-(4-Methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-(1-pyrrolidinyl)methanone
CID 665852
3-Phenyl-5-(2-phenylphenyl)-1,2,4-oxadiazole
CID 976058
3-(4-Chlorophenyl)-5-[2-(1-pyrrolidinylcarbonyl)phenyl]-1,2,4-oxadiazole
CID 1250965
1-{2-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]benzoyl}-4-methylpiperazine
CID 1856074

Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 2019832) is morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is O=C(c1ccccc1-c1nc(-c2ccccc2)no1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is QIUPMRNIFGBCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c23-19(22-10-12-24-13-11-22)16-9-5-4-8-15(16)18-20-17(21-25-18)14-6-2-1-3-7-14/h1-9H,10-13H2.
What are the key properties of morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 335.36 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 2019832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).