[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

C15H25N3O4S — CID 70740173

IUPAC[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)on1
InChIInChI=1S/C15H25N3O4S/c1-12(2)10-13-11-14(22-16-13)15(19)18-6-4-17(5-7-18)8-9-23(3,20)21/h11-12H,4-10H2,1-3H3
InChIKeyYGSQSUXRWINJRT-UHFFFAOYSA-N
MW343.45 g/mol
LogP0.68
Rot. Bonds6

About [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone

[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (PubChem CID 70740173) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
PubChem CID70740173
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
SMILESCC(C)Cc1cc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)on1
InChIInChI=1S/C15H25N3O4S/c1-12(2)10-13-11-14(22-16-13)15(19)18-6-4-17(5-7-18)8-9-23(3,20)21/h11-12H,4-10H2,1-3H3
InChIKeyYGSQSUXRWINJRT-UHFFFAOYSA-N
XLogP0.68
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

(6S)-1-methyl-4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-1,4-diazepane-6-carboxamide
CID 124946177
furan-2-yl-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94897133
3-[4-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]piperazin-1-yl]benzoic acid
CID 72839502
6,8-dihydro-5H-imidazo[1,5-a]pyrazin-7-yl-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 56888109
N-[2-[4-(2-methylsulfonylethyl)piperazin-1-yl]-2-oxoethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 56572319
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[(4R)-4-phenylazepan-1-yl]methanone
CID 97147383
(4-ethylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94063036
(1R,5R)-3-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]-3,9-diazabicyclo[3.3.2]decan-10-one
CID 70727364
(4-methylphenyl)-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone
CID 94448657
[4-hydroxy-4-(5-methyl-2-pyridinyl)piperidin-1-yl]-[3-(2-methylpropyl)-1,2-oxazol-5-yl]methanone
CID 70726866
[4-(2-methylsulfonylethyl)piperazin-1-yl]-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone
CID 56534055
[1-methyl-3-(2-methylpropyl)pyrazol-5-yl]-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]methanone
CID 70721848

Frequently Asked Questions

What is the IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The IUPAC name of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone (CID 70740173) is [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The canonical SMILES for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is CC(C)Cc1cc(C(=O)N2CCN(CCS(C)(=O)=O)CC2)on1.
What is the InChIKey of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
The InChIKey is YGSQSUXRWINJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-12(2)10-13-11-14(22-16-13)15(19)18-6-4-17(5-7-18)8-9-23(3,20)21/h11-12H,4-10H2,1-3H3.
What are the key properties of [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone?
[3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone has a molecular weight of 343.45 g/mol, XLogP of 0.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methylpropyl)-1,2-oxazol-5-yl]-[4-(2-methylsulfonylethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 70740173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).