2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine

C12H18N2OS — CID 91263686

IUPAC2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCCC(C)N1OC(N)C=C1c1sccc1C
InChIInChI=1S/C12H18N2OS/c1-4-9(3)14-10(7-11(13)15-14)12-8(2)5-6-16-12/h5-7,9,11H,4,13H2,1-3H3
InChIKeyJDLOTCQZTUDKNK-UHFFFAOYSA-N
MW238.36 g/mol
LogP2.73
Rot. Bonds3

About 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine

2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (PubChem CID 91263686) has the molecular formula C12H18N2OS and a molecular weight of 238.36 g/mol. Its IUPAC name is 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
PubChem CID91263686
Molecular FormulaC12H18N2OS
Molecular Weight238.36 g/mol
Exact Mass238.11
IUPAC Name2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCCC(C)N1OC(N)C=C1c1sccc1C
InChIInChI=1S/C12H18N2OS/c1-4-9(3)14-10(7-11(13)15-14)12-8(2)5-6-16-12/h5-7,9,11H,4,13H2,1-3H3
InChIKeyJDLOTCQZTUDKNK-UHFFFAOYSA-N
XLogP2.73
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-N-[(3-methylthiophen-2-yl)methyl]propan-2-amine
CID 43177898
2-benzhydryl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90693066
2-cyclopentyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90705322
2-tert-butyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90735249
2-butan-2-yl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90783493
2-cycloheptyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90792290
2-cyclopentyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90821453
2-cycloheptyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90930757
2-cycloheptyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90956020
2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90981074
2-cyclohexyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91033195
2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91160388

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (CID 91263686) is 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is CCC(C)N1OC(N)C=C1c1sccc1C.
What is the InChIKey of 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The InChIKey is JDLOTCQZTUDKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2OS/c1-4-9(3)14-10(7-11(13)15-14)12-8(2)5-6-16-12/h5-7,9,11H,4,13H2,1-3H3.
What are the key properties of 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine has a molecular weight of 238.36 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91263686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).