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

C12H17N5O4S — CID 146369146

IUPAC4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine
SMILESCC(C)c1nc(-n2cnc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C12H17N5O4S/c1-9(2)11-14-12(15-21-11)16-7-10(13-8-16)22(18,19)17-3-5-20-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyKCHVYMMSJYNPPW-UHFFFAOYSA-N
MW327.37 g/mol
LogP0.40
Rot. Bonds4

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

4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine (PubChem CID 146369146) has the molecular formula C12H17N5O4S and a molecular weight of 327.37 g/mol. Its IUPAC name is 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine
PubChem CID146369146
Molecular FormulaC12H17N5O4S
Molecular Weight327.37 g/mol
Exact Mass327.10
IUPAC Name4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine
SMILESCC(C)c1nc(-n2cnc(S(=O)(=O)N3CCOCC3)c2)no1
InChIInChI=1S/C12H17N5O4S/c1-9(2)11-14-12(15-21-11)16-7-10(13-8-16)22(18,19)17-3-5-20-6-4-17/h7-9H,3-6H2,1-2H3
InChIKeyKCHVYMMSJYNPPW-UHFFFAOYSA-N
XLogP0.40
TPSA103.35 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.37
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

4-[1-[[5-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine
CID 50831851
4-[1-[[5-(3,5-dimethylphenyl)-1,2,4-oxadiazol-3-yl]methyl]imidazol-4-yl]sulfonylmorpholine
CID 50831762
1-morpholin-4-yl-2-(4-morpholin-4-ylsulfonylimidazol-1-yl)ethanone
CID 20949851
1-(1-methylimidazol-4-yl)sulfonylpiperazine
CID 20735186
1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)ethanol
CID 116808953
4-(3-tert-butyl-1-propan-2-ylpyrazol-4-yl)sulfonylmorpholine
CID 42283753
1-(1-methylimidazol-4-yl)sulfonylpiperazine;hydrochloride
CID 66934082
4-(2-methoxyphenyl)sulfonyl-2-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)morpholine
CID 75474711
4-methoxy-3-morpholin-4-ylsulfonyl-N-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]phenyl]benzamide
CID 100795486
2-(4-morpholin-4-ylsulfonylimidazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 20949736
3-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 116808961
morpholin-4-yl-[(3R)-1-(1-propan-2-ylimidazol-4-yl)sulfonylpiperidin-3-yl]methanone
CID 93069070

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine?
The IUPAC name of 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine (CID 146369146) is 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine?
The canonical SMILES for 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine is CC(C)c1nc(-n2cnc(S(=O)(=O)N3CCOCC3)c2)no1.
What is the InChIKey of 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine?
The InChIKey is KCHVYMMSJYNPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O4S/c1-9(2)11-14-12(15-21-11)16-7-10(13-8-16)22(18,19)17-3-5-20-6-4-17/h7-9H,3-6H2,1-2H3.
What are the key properties of 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine?
4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine has a molecular weight of 327.37 g/mol, XLogP of 0.40, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)imidazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 146369146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).