(5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

C18H21N3O4S — CID 74250288

IUPAC(5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3C3CC3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-2-6-15(7-3-13)26(23,24)21-10-8-20(9-11-21)18(22)16-17(14-4-5-14)25-12-19-16/h2-3,6-7,12,14H,4-5,8-11H2,1H3
InChIKeyCXCMCEBWAWQNPA-UHFFFAOYSA-N
MW375.45 g/mol
LogP2.01
Rot. Bonds4

About (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (PubChem CID 74250288) has the molecular formula C18H21N3O4S and a molecular weight of 375.45 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
PubChem CID74250288
Molecular FormulaC18H21N3O4S
Molecular Weight375.45 g/mol
Exact Mass375.13
IUPAC Name(5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone
SMILESCc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3C3CC3)CC2)cc1
InChIInChI=1S/C18H21N3O4S/c1-13-2-6-15(7-3-13)26(23,24)21-10-8-20(9-11-21)18(22)16-17(14-4-5-14)25-12-19-16/h2-3,6-7,12,14H,4-5,8-11H2,1H3
InChIKeyCXCMCEBWAWQNPA-UHFFFAOYSA-N
XLogP2.01
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone (CID 74250288) is (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is Cc1ccc(S(=O)(=O)N2CCN(C(=O)c3ncoc3C3CC3)CC2)cc1.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
The InChIKey is CXCMCEBWAWQNPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S/c1-13-2-6-15(7-3-13)26(23,24)21-10-8-20(9-11-21)18(22)16-17(14-4-5-14)25-12-19-16/h2-3,6-7,12,14H,4-5,8-11H2,1H3.
What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone?
(5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone has a molecular weight of 375.45 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone is sourced from PubChem (CID 74250288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).