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

C13H16N2O — CID 170889270

IUPAC1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
SMILESCCC(N)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H16N2O/c1-2-11(14)8-12-9-13(16-15-12)10-6-4-3-5-7-10/h3-7,9,11H,2,8,14H2,1H3
InChIKeyGNBBKTGLMGENBL-UHFFFAOYSA-N
MW216.28 g/mol
LogP2.62
Rot. Bonds4

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

1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine (PubChem CID 170889270) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
PubChem CID170889270
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC Name1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
SMILESCCC(N)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C13H16N2O/c1-2-11(14)8-12-9-13(16-15-12)10-6-4-3-5-7-10/h3-7,9,11H,2,8,14H2,1H3
InChIKeyGNBBKTGLMGENBL-UHFFFAOYSA-N
XLogP2.62
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 16878276
N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]ethanesulfonamide
CID 110314681
1-butan-2-yl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 110927490
2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
4-butan-2-yl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzenesulfonamide
CID 47093279
1,1-diethyl-2-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine;hydroiodide
CID 111078072
3-(1,1-difluoropropoxymethyl)-5-phenyl-1,2-oxazole
CID 90125012
2-[(5-phenyl-1,2-oxazol-3-yl)methylsulfanyl]propan-1-ol
CID 113244583
1-(1-hydroxybutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 110923403
1-(4-phenylphenyl)butan-2-amine
CID 23591877
ethane;5-phenyl-1,2-oxazol-3-amine
CID 145311661
(2S)-2-[[(1S)-1-carboxy-2-(5-phenyl-1,2-oxazol-3-yl)ethyl]amino]-4-methylpentanoic acid
CID 58632916

Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine?
The IUPAC name of 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine (CID 170889270) is 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine.
What is the SMILES notation for 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine?
The canonical SMILES for 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine is CCC(N)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine?
The InChIKey is GNBBKTGLMGENBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O/c1-2-11(14)8-12-9-13(16-15-12)10-6-4-3-5-7-10/h3-7,9,11H,2,8,14H2,1H3.
What are the key properties of 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine?
1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine has a molecular weight of 216.28 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine is sourced from PubChem (CID 170889270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).