2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

C11H19N3O3S — CID 66104454

IUPAC2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(CO)CSCC(=O)Nc1nnc(C(C)C)o1
InChIInChI=1S/C11H19N3O3S/c1-7(2)10-13-14-11(17-10)12-9(16)6-18-5-8(3)4-15/h7-8,15H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyMWXDUVKDXIZQSX-UHFFFAOYSA-N
MW273.36 g/mol
LogP1.49
Rot. Bonds7

About 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide

2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 66104454) has the molecular formula C11H19N3O3S and a molecular weight of 273.36 g/mol. Its IUPAC name is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID66104454
Molecular FormulaC11H19N3O3S
Molecular Weight273.36 g/mol
Exact Mass273.11
IUPAC Name2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCC(CO)CSCC(=O)Nc1nnc(C(C)C)o1
InChIInChI=1S/C11H19N3O3S/c1-7(2)10-13-14-11(17-10)12-9(16)6-18-5-8(3)4-15/h7-8,15H,4-6H2,1-3H3,(H,12,14,16)
InChIKeyMWXDUVKDXIZQSX-UHFFFAOYSA-N
XLogP1.49
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-[(5-Methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43169881
2-(2-aminoethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43249533
2-[2-Oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]sulfanylacetic acid
CID 43352265
2-[2-Oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]sulfanylpropanoic acid
CID 43352486
3-[2-[(5-Methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoic acid
CID 43352520
3-[2-Oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]sulfanylpropanoic acid
CID 43352539
N-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-hydroxyethylsulfanyl)acetamide
CID 43502553
2-(2-hydroxyethylsulfanyl)-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 43502554
2-(2-hydroxyethylsulfanyl)-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 43502591
Methyl 2-methyl-3-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]sulfanylpropanoate
CID 64261573
Methyl 2-methyl-3-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)amino]-2-oxoethyl]sulfanylpropanoate
CID 64262507
Methyl 3-[2-oxo-2-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)amino]ethyl]sulfanylbutanoate
CID 64263663

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 66104454) is 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is CC(CO)CSCC(=O)Nc1nnc(C(C)C)o1.
What is the InChIKey of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is MWXDUVKDXIZQSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3S/c1-7(2)10-13-14-11(17-10)12-9(16)6-18-5-8(3)4-15/h7-8,15H,4-6H2,1-3H3,(H,12,14,16).
What are the key properties of 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide?
2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 273.36 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxy-2-methylpropyl)sulfanyl-N-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 66104454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).