2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

C12H21N3O2S — CID 66227895

IUPAC2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(CCN)SCC(=O)Nc1cc(C(C)C)no1
InChIInChI=1S/C12H21N3O2S/c1-8(2)10-6-12(17-15-10)14-11(16)7-18-9(3)4-5-13/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,16)
InChIKeyGUOCNXALOSVSNQ-UHFFFAOYSA-N
MW271.39 g/mol
LogP2.21
Rot. Bonds7

About 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide

2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (PubChem CID 66227895) has the molecular formula C12H21N3O2S and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
PubChem CID66227895
Molecular FormulaC12H21N3O2S
Molecular Weight271.39 g/mol
Exact Mass271.14
IUPAC Name2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
SMILESCC(CCN)SCC(=O)Nc1cc(C(C)C)no1
InChIInChI=1S/C12H21N3O2S/c1-8(2)10-6-12(17-15-10)14-11(16)7-18-9(3)4-5-13/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,16)
InChIKeyGUOCNXALOSVSNQ-UHFFFAOYSA-N
XLogP2.21
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide with MolForge

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Related Compounds

2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43440631
3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43238022
2-(3-aminophenyl)sulfanyl-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 79134132
N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 89054004
[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl] N-(diaminomethylidene)carbamimidothioate
CID 83083553
2-[(5-methylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 51140531
2-(4-aminobutan-2-ylsulfanyl)-N-(3,5-dimethyl-1H-pyrazol-4-yl)acetamide
CID 66229540
2-(4-aminobutan-2-ylsulfanyl)-N-(2,4-difluorophenyl)acetamide
CID 66231150
4-[[2-(4-aminobutan-2-ylsulfanyl)acetyl]amino]benzamide
CID 66228849
2-(4-aminobutan-2-ylsulfanyl)-N-(4-ethylphenyl)acetamide
CID 66229760
3-[2-[(3-tert-butyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137390
2-(2-ethyl-4-methylimidazol-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 167794432

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide (CID 66227895) is 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is CC(CCN)SCC(=O)Nc1cc(C(C)C)no1.
What is the InChIKey of 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
The InChIKey is GUOCNXALOSVSNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2S/c1-8(2)10-6-12(17-15-10)14-11(16)7-18-9(3)4-5-13/h6,8-9H,4-5,7,13H2,1-3H3,(H,14,16).
What are the key properties of 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide?
2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide has a molecular weight of 271.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutan-2-ylsulfanyl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 66227895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).