[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

C16H22N4O5S — CID 75463189

IUPAC[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ncoc2C(C)C)CC1
InChIInChI=1S/C16H22N4O5S/c1-10(2)14-13(17-9-24-14)16(21)19-5-7-20(8-6-19)26(22,23)15-11(3)18-25-12(15)4/h9-10H,5-8H2,1-4H3
InChIKeyBWIUKNNNTVTKPB-UHFFFAOYSA-N
MW382.44 g/mol
LogP1.55
Rot. Bonds4

About [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone

[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (PubChem CID 75463189) has the molecular formula C16H22N4O5S and a molecular weight of 382.44 g/mol. Its IUPAC name is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.

Molecular Properties

Compound Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
PubChem CID75463189
Molecular FormulaC16H22N4O5S
Molecular Weight382.44 g/mol
Exact Mass382.13
IUPAC Name[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone
SMILESCc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ncoc2C(C)C)CC1
InChIInChI=1S/C16H22N4O5S/c1-10(2)14-13(17-9-24-14)16(21)19-5-7-20(8-6-19)26(22,23)15-11(3)18-25-12(15)4/h9-10H,5-8H2,1-4H3
InChIKeyBWIUKNNNTVTKPB-UHFFFAOYSA-N
XLogP1.55
TPSA109.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Launch Full Analysis

Related Compounds

1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]ethanone
CID 3345472
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one
CID 55428768
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-ylpiperazine-1-carboxamide
CID 110811197
(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-1,4-diazepan-1-yl]-3-methylbutan-1-one
CID 119275466
2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]methanone
CID 9150905
4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one
CID 55428674
(2S)-2-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-3,3-dimethylbutan-1-one;hydrochloride
CID 119694717
4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]-N-propan-2-yl-1,4-diazepane-1-carboxamide
CID 110812047
3-amino-1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]butan-1-one;hydrochloride
CID 119694733
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 108569871
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9326894
2-[1-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-1-oxopropan-2-yl]isoindole-1,3-dione
CID 45354210

Frequently Asked Questions

What is the IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The IUPAC name of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone (CID 75463189) is [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone.
What is the SMILES notation for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The canonical SMILES for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)c2ncoc2C(C)C)CC1.
What is the InChIKey of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
The InChIKey is BWIUKNNNTVTKPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O5S/c1-10(2)14-13(17-9-24-14)16(21)19-5-7-20(8-6-19)26(22,23)15-11(3)18-25-12(15)4/h9-10H,5-8H2,1-4H3.
What are the key properties of [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone?
[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone has a molecular weight of 382.44 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-yl]-(5-propan-2-yl-1,3-oxazol-4-yl)methanone is sourced from PubChem (CID 75463189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).