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

C12H16N2OS — CID 90981074

IUPAC2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccc(C2=CC(N)ON2C2CCC2)s1
InChIInChI=1S/C12H16N2OS/c1-8-5-6-11(16-8)10-7-12(13)15-14(10)9-3-2-4-9/h5-7,9,12H,2-4,13H2,1H3
InChIKeyVJTKDZLTNHHRTN-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.48
Rot. Bonds2

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

2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (PubChem CID 90981074) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.

Molecular Properties

Compound Name2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
PubChem CID90981074
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine
SMILESCc1ccc(C2=CC(N)ON2C2CCC2)s1
InChIInChI=1S/C12H16N2OS/c1-8-5-6-11(16-8)10-7-12(13)15-14(10)9-3-2-4-9/h5-7,9,12H,2-4,13H2,1H3
InChIKeyVJTKDZLTNHHRTN-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-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
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
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
3-(5-bromothiophen-2-yl)-2-cycloheptyl-5H-1,2-oxazol-5-amine
CID 91123984
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-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The IUPAC name of 2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine (CID 90981074) is 2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine.
What is the SMILES notation for 2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The canonical SMILES for 2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is Cc1ccc(C2=CC(N)ON2C2CCC2)s1.
What is the InChIKey of 2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
The InChIKey is VJTKDZLTNHHRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-8-5-6-11(16-8)10-7-12(13)15-14(10)9-3-2-4-9/h5-7,9,12H,2-4,13H2,1H3.
What are the key properties of 2-cyclobutyl-3-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine?
2-cyclobutyl-3-(5-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-(5-methylthiophen-2-yl)-5H-1,2-oxazol-5-amine is sourced from PubChem (CID 90981074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).