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

C12H16N2OS — CID 91160388

IUPAC2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1=CC(N)ON1C1CCC1
InChIInChI=1S/C12H16N2OS/c1-8-5-6-16-12(8)10-7-11(13)15-14(10)9-3-2-4-9/h5-7,9,11H,2-4,13H2,1H3
InChIKeyIJLULNQETPTXJL-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.48
Rot. Bonds2

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

2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (PubChem CID 91160388) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
PubChem CID91160388
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccsc1C1=CC(N)ON1C1CCC1
InChIInChI=1S/C12H16N2OS/c1-8-5-6-16-12(8)10-7-11(13)15-14(10)9-3-2-4-9/h5-7,9,11H,2-4,13H2,1H3
InChIKeyIJLULNQETPTXJL-UHFFFAOYSA-N
XLogP2.48
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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-cyclopentyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91236224
2-butan-2-yl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
CID 91263686

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (CID 91160388) is 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is Cc1ccsc1C1=CC(N)ON1C1CCC1.
What is the InChIKey of 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The InChIKey is IJLULNQETPTXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-5-6-16-12(8)10-7-11(13)15-14(10)9-3-2-4-9/h5-7,9,11H,2-4,13H2,1H3.
What are the key properties of 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine has a molecular weight of 236.34 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-3-(3-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 91160388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).