4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine

C19H23N5O4S — CID 50831851

IUPAC4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine
SMILESCC(C)c1ccc(-c2nc(Cn3cnc(S(=O)(=O)N4CCOCC4)c3)no2)cc1
InChIInChI=1S/C19H23N5O4S/c1-14(2)15-3-5-16(6-4-15)19-21-17(22-28-19)11-23-12-18(20-13-23)29(25,26)24-7-9-27-10-8-24/h3-6,12-14H,7-11H2,1-2H3
InChIKeyQNGMSLATDFBAGP-UHFFFAOYSA-N
MW417.49 g/mol
LogP2.13
Rot. Bonds6

About 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine

4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine (PubChem CID 50831851) has the molecular formula C19H23N5O4S and a molecular weight of 417.49 g/mol. Its IUPAC name is 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine
PubChem CID50831851
Molecular FormulaC19H23N5O4S
Molecular Weight417.49 g/mol
Exact Mass417.15
IUPAC Name4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine
SMILESCC(C)c1ccc(-c2nc(Cn3cnc(S(=O)(=O)N4CCOCC4)c3)no2)cc1
InChIInChI=1S/C19H23N5O4S/c1-14(2)15-3-5-16(6-4-15)19-21-17(22-28-19)11-23-12-18(20-13-23)29(25,26)24-7-9-27-10-8-24/h3-6,12-14H,7-11H2,1-2H3
InChIKeyQNGMSLATDFBAGP-UHFFFAOYSA-N
XLogP2.13
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.49
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine (CID 50831851) is 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine is CC(C)c1ccc(-c2nc(Cn3cnc(S(=O)(=O)N4CCOCC4)c3)no2)cc1.
What is the InChIKey of 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine?
The InChIKey is QNGMSLATDFBAGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4S/c1-14(2)15-3-5-16(6-4-15)19-21-17(22-28-19)11-23-12-18(20-13-23)29(25,26)24-7-9-27-10-8-24/h3-6,12-14H,7-11H2,1-2H3.
What are the key properties of 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine?
4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine has a molecular weight of 417.49 g/mol, XLogP of 2.13, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 50831851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).