N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide

C18H30N2O4S — CID 59703974

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCCCC2)on1
InChIInChI=1S/C18H30N2O4S/c1-17(2,3)14-11-15(24-20-14)19-16(21)18(4,5)25(22,23)12-13-9-7-6-8-10-13/h11,13H,6-10,12H2,1-5H3,(H,19,21)
InChIKeyPPNIXBPDFLKACO-UHFFFAOYSA-N
MW370.52 g/mol
LogP3.68
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide (PubChem CID 59703974) has the molecular formula C18H30N2O4S and a molecular weight of 370.52 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
PubChem CID59703974
Molecular FormulaC18H30N2O4S
Molecular Weight370.52 g/mol
Exact Mass370.19
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide
SMILESCC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCCCC2)on1
InChIInChI=1S/C18H30N2O4S/c1-17(2,3)14-11-15(24-20-14)19-16(21)18(4,5)25(22,23)12-13-9-7-6-8-10-13/h11,13H,6-10,12H2,1-5H3,(H,19,21)
InChIKeyPPNIXBPDFLKACO-UHFFFAOYSA-N
XLogP3.68
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.52
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide (CID 59703974) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide is CC(C)(C)c1cc(NC(=O)C(C)(C)S(=O)(=O)CC2CCCCC2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide?
The InChIKey is PPNIXBPDFLKACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O4S/c1-17(2,3)14-11-15(24-20-14)19-16(21)18(4,5)25(22,23)12-13-9-7-6-8-10-13/h11,13H,6-10,12H2,1-5H3,(H,19,21).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide has a molecular weight of 370.52 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(cyclohexylmethylsulfonyl)-2-methylpropanamide is sourced from PubChem (CID 59703974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).