5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine

C13H16N2O — CID 66200306

IUPAC5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
SMILESCCC(C)c1onc(N)c1-c1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-9(2)12-11(13(14)15-16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,14,15)
InChIKeyIXYOOTHURFAFII-UHFFFAOYSA-N
MW216.28 g/mol
LogP3.44
Rot. Bonds3

About 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine

5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine (PubChem CID 66200306) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
PubChem CID66200306
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine
SMILESCCC(C)c1onc(N)c1-c1ccccc1
InChIInChI=1S/C13H16N2O/c1-3-9(2)12-11(13(14)15-16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,14,15)
InChIKeyIXYOOTHURFAFII-UHFFFAOYSA-N
XLogP3.44
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-Dimethyl-4-phenylisoxazole
CID 5325760
5-Phenyl-1,2-oxazol-3-amine
CID 3620792
4-(4-Tert-butylphenyl)-3-isoxazolamine
CID 973121
5-(4-Fluorophenyl)-1,2-oxazol-3-amine
CID 13200424
4-Phenyl-1,2-oxazol-3-amine
CID 10773253
7-Methyl-1,2-benzoxazol-3-amine
CID 69098325
5-Ethyl-3-Methyl-4-Phenyl-1,2-Oxazole
CID 56596556
4-(3-Aminophenyl)-5-methyl-1,2-oxazol-3-amine
CID 90655987
4-(4-Fluorophenyl)-5-methyl-1,2-oxazole
CID 130439192
5-Methyl-4-phenylisoxazole
CID 594379
4-(2-Fluorophenyl)-1,2-oxazol-3-amine
CID 64981557
5-(2-Fluorophenyl)-4-methyl-1,2-oxazol-3-amine
CID 66199795

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine (CID 66200306) is 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine is CCC(C)c1onc(N)c1-c1ccccc1.
What is the InChIKey of 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is IXYOOTHURFAFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-9(2)12-11(13(14)15-16-12)10-7-5-4-6-8-10/h4-9H,3H2,1-2H3,(H2,14,15).
What are the key properties of 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine?
5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 216.28 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66200306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).