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

C11H15ClN2OS — CID 91449845

IUPAC2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCCC(C)N1OC(N)C=C1c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-3-7(2)14-8(6-11(13)15-14)9-4-5-10(12)16-9/h4-7,11H,3,13H2,1-2H3
InChIKeyBFKCADDJFDQFFH-UHFFFAOYSA-N
MW258.77 g/mol
LogP3.07
Rot. Bonds3

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

2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine (PubChem CID 91449845) has the molecular formula C11H15ClN2OS and a molecular weight of 258.77 g/mol. Its IUPAC name is 2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
PubChem CID91449845
Molecular FormulaC11H15ClN2OS
Molecular Weight258.77 g/mol
Exact Mass258.06
IUPAC Name2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCCC(C)N1OC(N)C=C1c1ccc(Cl)s1
InChIInChI=1S/C11H15ClN2OS/c1-3-7(2)14-8(6-11(13)15-14)9-4-5-10(12)16-9/h4-7,11H,3,13H2,1-2H3
InChIKeyBFKCADDJFDQFFH-UHFFFAOYSA-N
XLogP3.07
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.77
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclopentyl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90705322
3-(5-chlorothiophen-2-yl)-2-cyclopentyl-5H-1,2-oxazol-5-amine
CID 90721100
2-butan-2-yl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 90783493
3-(5-chlorothiophen-2-yl)-2-cyclohexyl-5H-1,2-oxazol-5-amine
CID 90815879
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
3-(5-chlorothiophen-2-yl)-2-cyclobutyl-5H-1,2-oxazol-5-amine
CID 91001426
2-cyclohexyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91033195
2-butan-2-yl-3-(5-ethylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91296324
3-(5-chlorothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91386226

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine (CID 91449845) is 2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine is CCC(C)N1OC(N)C=C1c1ccc(Cl)s1.
What is the InChIKey of 2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine?
The InChIKey is BFKCADDJFDQFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2OS/c1-3-7(2)14-8(6-11(13)15-14)9-4-5-10(12)16-9/h4-7,11H,3,13H2,1-2H3.
What are the key properties of 2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine?
2-butan-2-yl-3-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine has a molecular weight of 258.77 g/mol, XLogP of 3.07, 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-(5-chlorothiophen-2-yl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91449845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).