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

C17H15N3O3S — CID 53119621

IUPACmorpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(-c2noc(-c3ccccc3)n2)s1)N1CCOCC1
InChIInChI=1S/C17H15N3O3S/c21-17(20-8-10-22-11-9-20)14-7-6-13(24-14)15-18-16(23-19-15)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyJBPUDNYVZVCMKH-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.94
Rot. Bonds3

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

morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone (PubChem CID 53119621) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone.

Molecular Properties

Compound Namemorpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone
PubChem CID53119621
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Namemorpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone
SMILESO=C(c1ccc(-c2noc(-c3ccccc3)n2)s1)N1CCOCC1
InChIInChI=1S/C17H15N3O3S/c21-17(20-8-10-22-11-9-20)14-7-6-13(24-14)15-18-16(23-19-15)12-4-2-1-3-5-12/h1-7H,8-11H2
InChIKeyJBPUDNYVZVCMKH-UHFFFAOYSA-N
XLogP2.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone?
The IUPAC name of morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone (CID 53119621) is morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone.
What is the SMILES notation for morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone?
The canonical SMILES for morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone is O=C(c1ccc(-c2noc(-c3ccccc3)n2)s1)N1CCOCC1.
What is the InChIKey of morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone?
The InChIKey is JBPUDNYVZVCMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c21-17(20-8-10-22-11-9-20)14-7-6-13(24-14)15-18-16(23-19-15)12-4-2-1-3-5-12/h1-7H,8-11H2.
What are the key properties of morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone?
morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone has a molecular weight of 341.39 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-[5-(5-phenyl-1,2,4-oxadiazol-3-yl)thiophen-2-yl]methanone is sourced from PubChem (CID 53119621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).