5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol

C15H22N2OS — CID 142871973

IUPAC5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol
SMILESCCCC(C)c1ccc(S)cc1.Cc1cc(N)no1
InChIInChI=1S/C11H16S.C4H6N2O/c1-3-4-9(2)10-5-7-11(12)8-6-10;1-3-2-4(5)6-7-3/h5-9,12H,3-4H2,1-2H3;2H,1H3,(H2,5,6)
InChIKeyCAUVYMNEPKKWOM-UHFFFAOYSA-N
MW278.42 g/mol
LogP4.44
Rot. Bonds3

About 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol

5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol (PubChem CID 142871973) has the molecular formula C15H22N2OS and a molecular weight of 278.42 g/mol. Its IUPAC name is 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol.

Molecular Properties

Compound Name5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol
PubChem CID142871973
Molecular FormulaC15H22N2OS
Molecular Weight278.42 g/mol
Exact Mass278.15
IUPAC Name5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol
SMILESCCCC(C)c1ccc(S)cc1.Cc1cc(N)no1
InChIInChI=1S/C11H16S.C4H6N2O/c1-3-4-9(2)10-5-7-11(12)8-6-10;1-3-2-4(5)6-7-3/h5-9,12H,3-4H2,1-2H3;2H,1H3,(H2,5,6)
InChIKeyCAUVYMNEPKKWOM-UHFFFAOYSA-N
XLogP4.44
TPSA52.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.42
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol?
The IUPAC name of 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol (CID 142871973) is 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol.
What is the SMILES notation for 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol?
The canonical SMILES for 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol is CCCC(C)c1ccc(S)cc1.Cc1cc(N)no1.
What is the InChIKey of 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol?
The InChIKey is CAUVYMNEPKKWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16S.C4H6N2O/c1-3-4-9(2)10-5-7-11(12)8-6-10;1-3-2-4(5)6-7-3/h5-9,12H,3-4H2,1-2H3;2H,1H3,(H2,5,6).
What are the key properties of 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol?
5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol has a molecular weight of 278.42 g/mol, XLogP of 4.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1,2-oxazol-3-amine;4-pentan-2-ylbenzenethiol is sourced from PubChem (CID 142871973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).