2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

C10H17N3O2S — CID 66232131

IUPAC2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CSCCC(C)N)on1
InChIInChI=1S/C10H17N3O2S/c1-7(11)3-4-16-6-9(14)12-10-5-8(2)13-15-10/h5,7H,3-4,6,11H2,1-2H3,(H,12,14)
InChIKeyVVEZEURRRLLCDS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.39
Rot. Bonds6

About 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide

2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (PubChem CID 66232131) has the molecular formula C10H17N3O2S and a molecular weight of 243.33 g/mol. Its IUPAC name is 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
PubChem CID66232131
Molecular FormulaC10H17N3O2S
Molecular Weight243.33 g/mol
Exact Mass243.10
IUPAC Name2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
SMILESCc1cc(NC(=O)CSCCC(C)N)on1
InChIInChI=1S/C10H17N3O2S/c1-7(11)3-4-16-6-9(14)12-10-5-8(2)13-15-10/h5,7H,3-4,6,11H2,1-2H3,(H,12,14)
InChIKeyVVEZEURRRLLCDS-UHFFFAOYSA-N
XLogP1.39
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,3-dihydroxypropylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 79682116
2-(3-aminobutylsulfanyl)-N-(2,6-difluorophenyl)acetamide
CID 66232808
3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43238022
4-amino-3-methyl-N-(3-methyl-1,2-oxazol-5-yl)butanamide
CID 81071258
2-(3-aminobutylsulfanyl)-N-(2-methylphenyl)acetamide
CID 66231676
2-amino-3-[2-oxo-2-[(3-propan-2-yl-1,2-oxazol-5-yl)amino]ethyl]sulfanylpropanoic acid
CID 43440631
2-(3-aminobutylsulfanyl)-N-(3-iodophenyl)acetamide
CID 66233279
2-(3-aminobutylsulfanyl)-N-(3,5-dichloro-2-pyridinyl)acetamide
CID 66234835
2-[(3-methoxyphenyl)methylsulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 49153538
2-(3-aminobutylsulfanyl)-N-(3-methylbutan-2-yl)acetamide
CID 66234177
2-[4-(1-aminoethyl)piperidin-1-yl]-N-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 63595182
2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoacetic acid
CID 43444914

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide (CID 66232131) is 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is Cc1cc(NC(=O)CSCCC(C)N)on1.
What is the InChIKey of 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is VVEZEURRRLLCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2S/c1-7(11)3-4-16-6-9(14)12-10-5-8(2)13-15-10/h5,7H,3-4,6,11H2,1-2H3,(H,12,14).
What are the key properties of 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide?
2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 243.33 g/mol, XLogP of 1.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminobutylsulfanyl)-N-(3-methyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 66232131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).