[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone

C17H16N4O3S — CID 50834010

IUPAC[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2cccc(-c3noc(C(=O)N4CCOCC4)n3)c2)cs1
InChIInChI=1S/C17H16N4O3S/c1-11-18-14(10-25-11)12-3-2-4-13(9-12)15-19-16(24-20-15)17(22)21-5-7-23-8-6-21/h2-4,9-10H,5-8H2,1H3
InChIKeyYDSRKZRQLNCUJS-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.64
Rot. Bonds3

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

[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 50834010) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID50834010
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone
SMILESCc1nc(-c2cccc(-c3noc(C(=O)N4CCOCC4)n3)c2)cs1
InChIInChI=1S/C17H16N4O3S/c1-11-18-14(10-25-11)12-3-2-4-13(9-12)15-19-16(24-20-15)17(22)21-5-7-23-8-6-21/h2-4,9-10H,5-8H2,1H3
InChIKeyYDSRKZRQLNCUJS-UHFFFAOYSA-N
XLogP2.64
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone (CID 50834010) is [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone is Cc1nc(-c2cccc(-c3noc(C(=O)N4CCOCC4)n3)c2)cs1.
What is the InChIKey of [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is YDSRKZRQLNCUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-11-18-14(10-25-11)12-3-2-4-13(9-12)15-19-16(24-20-15)17(22)21-5-7-23-8-6-21/h2-4,9-10H,5-8H2,1H3.
What are the key properties of [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone?
[3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 356.41 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 50834010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).