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

C14H15N3O3S — CID 866838

IUPAC1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccccc2)o1)N1CCOCC1
InChIInChI=1S/C14H15N3O3S/c18-12(17-6-8-19-9-7-17)10-21-14-16-15-13(20-14)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyLXDLIGUXWJWGTC-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.69
Rot. Bonds4

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

1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (PubChem CID 866838) has the molecular formula C14H15N3O3S and a molecular weight of 305.36 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.

Molecular Properties

Compound Name1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
PubChem CID866838
Molecular FormulaC14H15N3O3S
Molecular Weight305.36 g/mol
Exact Mass305.08
IUPAC Name1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone
SMILESO=C(CSc1nnc(-c2ccccc2)o1)N1CCOCC1
InChIInChI=1S/C14H15N3O3S/c18-12(17-6-8-19-9-7-17)10-21-14-16-15-13(20-14)11-4-2-1-3-5-11/h1-5H,6-10H2
InChIKeyLXDLIGUXWJWGTC-UHFFFAOYSA-N
XLogP1.69
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The IUPAC name of 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone (CID 866838) is 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone.
What is the SMILES notation for 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The canonical SMILES for 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is O=C(CSc1nnc(-c2ccccc2)o1)N1CCOCC1.
What is the InChIKey of 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
The InChIKey is LXDLIGUXWJWGTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3S/c18-12(17-6-8-19-9-7-17)10-21-14-16-15-13(20-14)11-4-2-1-3-5-11/h1-5H,6-10H2.
What are the key properties of 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone?
1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone has a molecular weight of 305.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanone is sourced from PubChem (CID 866838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).