4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide

C10H18N4O2S — CID 55144942

IUPAC4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide
SMILESCc1nnc(SCCC(NC(C)C)C(N)=O)o1
InChIInChI=1S/C10H18N4O2S/c1-6(2)12-8(9(11)15)4-5-17-10-14-13-7(3)16-10/h6,8,12H,4-5H2,1-3H3,(H2,11,15)
InChIKeyDXXYDMPCNDYDEU-UHFFFAOYSA-N
MW258.35 g/mol
LogP0.71
Rot. Bonds7

About 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide

4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide (PubChem CID 55144942) has the molecular formula C10H18N4O2S and a molecular weight of 258.35 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide
PubChem CID55144942
Molecular FormulaC10H18N4O2S
Molecular Weight258.35 g/mol
Exact Mass258.12
IUPAC Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide
SMILESCc1nnc(SCCC(NC(C)C)C(N)=O)o1
InChIInChI=1S/C10H18N4O2S/c1-6(2)12-8(9(11)15)4-5-17-10-14-13-7(3)16-10/h6,8,12H,4-5H2,1-3H3,(H2,11,15)
InChIKeyDXXYDMPCNDYDEU-UHFFFAOYSA-N
XLogP0.71
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.35
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide?
The IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide (CID 55144942) is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide.
What is the SMILES notation for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide?
The canonical SMILES for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide is Cc1nnc(SCCC(NC(C)C)C(N)=O)o1.
What is the InChIKey of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide?
The InChIKey is DXXYDMPCNDYDEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O2S/c1-6(2)12-8(9(11)15)4-5-17-10-14-13-7(3)16-10/h6,8,12H,4-5H2,1-3H3,(H2,11,15).
What are the key properties of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide?
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide has a molecular weight of 258.35 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-2-(propan-2-ylamino)butanamide is sourced from PubChem (CID 55144942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).