1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

C22H28N4O6S — CID 55867380

IUPAC1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)on1
InChIInChI=1S/C22H28N4O6S/c1-17-16-20(32-23-17)22(28)25-10-8-24(9-11-25)21(27)7-4-18-2-5-19(6-3-18)33(29,30)26-12-14-31-15-13-26/h2-3,5-6,16H,4,7-15H2,1H3
InChIKeyFTMZEELISUATNS-UHFFFAOYSA-N
MW476.56 g/mol
LogP0.92
Rot. Bonds6

About 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one

1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one (PubChem CID 55867380) has the molecular formula C22H28N4O6S and a molecular weight of 476.56 g/mol. Its IUPAC name is 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one.

Molecular Properties

Compound Name1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
PubChem CID55867380
Molecular FormulaC22H28N4O6S
Molecular Weight476.56 g/mol
Exact Mass476.17
IUPAC Name1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
SMILESCc1cc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)on1
InChIInChI=1S/C22H28N4O6S/c1-17-16-20(32-23-17)22(28)25-10-8-24(9-11-25)21(27)7-4-18-2-5-19(6-3-18)33(29,30)26-12-14-31-15-13-26/h2-3,5-6,16H,4,7-15H2,1H3
InChIKeyFTMZEELISUATNS-UHFFFAOYSA-N
XLogP0.92
TPSA113.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.56
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-2-(4-piperidin-1-ylsulfonylphenyl)ethanone
CID 55972850
1-(4-ethoxypiperidin-1-yl)-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one
CID 55976461
3-(4-morpholin-4-ylsulfonylphenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propan-1-one
CID 55492692
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 3-(4-morpholin-4-ylsulfonylphenyl)propanoate
CID 7824841
1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-3-(4-methylphenyl)propan-1-one
CID 24554657
[3-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-1,2-oxazol-5-yl]-morpholin-4-ylmethanone
CID 92557995
3-(4-methylphenyl)-N-(4-morpholin-4-ylsulfonylphenyl)propanamide
CID 19061853
3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 4822535
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(5-morpholin-4-ylsulfonyl-2-pyridinyl)piperazin-1-yl]propan-1-one
CID 24598601
[4-(2,6-dichlorophenyl)sulfonylpiperazin-1-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 27757740
3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propan-1-one
CID 8638751

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The IUPAC name of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one (CID 55867380) is 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one.
What is the SMILES notation for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The canonical SMILES for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one is Cc1cc(C(=O)N2CCN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)on1.
What is the InChIKey of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
The InChIKey is FTMZEELISUATNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O6S/c1-17-16-20(32-23-17)22(28)25-10-8-24(9-11-25)21(27)7-4-18-2-5-19(6-3-18)33(29,30)26-12-14-31-15-13-26/h2-3,5-6,16H,4,7-15H2,1H3.
What are the key properties of 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one?
1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one has a molecular weight of 476.56 g/mol, XLogP of 0.92, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)propan-1-one is sourced from PubChem (CID 55867380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).