N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide

C14H25N3O3S — CID 47081883

IUPACN-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide
SMILESCC(c1nc(C(C)(C)C)no1)S(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C14H25N3O3S/c1-9(11-15-12(17-20-11)13(2,3)4)21(19)8-10(18)16-14(5,6)7/h9H,8H2,1-7H3,(H,16,18)
InChIKeyVNBMLIOXXUHAEF-UHFFFAOYSA-N
MW315.44 g/mol
LogP2.09
Rot. Bonds4

About N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide

N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide (PubChem CID 47081883) has the molecular formula C14H25N3O3S and a molecular weight of 315.44 g/mol. Its IUPAC name is N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide.

Molecular Properties

Compound NameN-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide
PubChem CID47081883
Molecular FormulaC14H25N3O3S
Molecular Weight315.44 g/mol
Exact Mass315.16
IUPAC NameN-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide
SMILESCC(c1nc(C(C)(C)C)no1)S(=O)CC(=O)NC(C)(C)C
InChIInChI=1S/C14H25N3O3S/c1-9(11-15-12(17-20-11)13(2,3)4)21(19)8-10(18)16-14(5,6)7/h9H,8H2,1-7H3,(H,16,18)
InChIKeyVNBMLIOXXUHAEF-UHFFFAOYSA-N
XLogP2.09
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide?
The IUPAC name of N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide (CID 47081883) is N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide.
What is the SMILES notation for N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide?
The canonical SMILES for N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide is CC(c1nc(C(C)(C)C)no1)S(=O)CC(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide?
The InChIKey is VNBMLIOXXUHAEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3S/c1-9(11-15-12(17-20-11)13(2,3)4)21(19)8-10(18)16-14(5,6)7/h9H,8H2,1-7H3,(H,16,18).
What are the key properties of N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide?
N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide has a molecular weight of 315.44 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[1-(3-tert-butyl-1,2,4-oxadiazol-5-yl)ethylsulfinyl]acetamide is sourced from PubChem (CID 47081883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).