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

C15H17N3O3 — CID 110393378

IUPACmorpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(CCc2ccccc2)o1)N1CCOCC1
InChIInChI=1S/C15H17N3O3/c19-15(18-8-10-20-11-9-18)14-17-16-13(21-14)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyCOOMKOUWYAQTOG-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.33
Rot. Bonds4

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

morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone (PubChem CID 110393378) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone
PubChem CID110393378
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Namemorpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone
SMILESO=C(c1nnc(CCc2ccccc2)o1)N1CCOCC1
InChIInChI=1S/C15H17N3O3/c19-15(18-8-10-20-11-9-18)14-17-16-13(21-14)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2
InChIKeyCOOMKOUWYAQTOG-UHFFFAOYSA-N
XLogP1.33
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone (CID 110393378) is morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone is O=C(c1nnc(CCc2ccccc2)o1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone?
The InChIKey is COOMKOUWYAQTOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c19-15(18-8-10-20-11-9-18)14-17-16-13(21-14)7-6-12-4-2-1-3-5-12/h1-5H,6-11H2.
What are the key properties of morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone?
morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone has a molecular weight of 287.32 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(2-phenylethyl)-1,3,4-oxadiazol-2-yl]methanone is sourced from PubChem (CID 110393378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).