4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

C19H34N4O3S — CID 55626280

IUPAC4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C19H34N4O3S/c1-19(2,3)17-14-20-18(26-17)15-22-10-12-23(13-11-22)27(24,25)21(4)16-8-6-5-7-9-16/h14,16H,5-13,15H2,1-4H3
InChIKeyNERDOIVCXUJPOO-UHFFFAOYSA-N
MW398.57 g/mol
LogP2.60
Rot. Bonds5

About 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide

4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (PubChem CID 55626280) has the molecular formula C19H34N4O3S and a molecular weight of 398.57 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
PubChem CID55626280
Molecular FormulaC19H34N4O3S
Molecular Weight398.57 g/mol
Exact Mass398.24
IUPAC Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide
SMILESCN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C19H34N4O3S/c1-19(2,3)17-14-20-18(26-17)15-22-10-12-23(13-11-22)27(24,25)21(4)16-8-6-5-7-9-16/h14,16H,5-13,15H2,1-4H3
InChIKeyNERDOIVCXUJPOO-UHFFFAOYSA-N
XLogP2.60
TPSA69.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.57
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide (CID 55626280) is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide.
What is the SMILES notation for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The canonical SMILES for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is CN(C1CCCCC1)S(=O)(=O)N1CCN(Cc2ncc(C(C)(C)C)o2)CC1.
What is the InChIKey of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
The InChIKey is NERDOIVCXUJPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4O3S/c1-19(2,3)17-14-20-18(26-17)15-22-10-12-23(13-11-22)27(24,25)21(4)16-8-6-5-7-9-16/h14,16H,5-13,15H2,1-4H3.
What are the key properties of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide?
4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide has a molecular weight of 398.57 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-cyclohexyl-N-methylpiperazine-1-sulfonamide is sourced from PubChem (CID 55626280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).