2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine

C18H19N3O — CID 56669257

IUPAC2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine
SMILESCCCCc1ccc(-c2nc(Nc3ccccn3)co2)cc1
InChIInChI=1S/C18H19N3O/c1-2-3-6-14-8-10-15(11-9-14)18-21-17(13-22-18)20-16-7-4-5-12-19-16/h4-5,7-13H,2-3,6H2,1H3,(H,19,20)
InChIKeyZLSGXJIWFPDPKP-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.82
Rot. Bonds6

About 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine

2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine (PubChem CID 56669257) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine.

Molecular Properties

Compound Name2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine
PubChem CID56669257
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Name2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine
SMILESCCCCc1ccc(-c2nc(Nc3ccccn3)co2)cc1
InChIInChI=1S/C18H19N3O/c1-2-3-6-14-8-10-15(11-9-14)18-21-17(13-22-18)20-16-7-4-5-12-19-16/h4-5,7-13H,2-3,6H2,1H3,(H,19,20)
InChIKeyZLSGXJIWFPDPKP-UHFFFAOYSA-N
XLogP4.82
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine?
The IUPAC name of 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine (CID 56669257) is 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine.
What is the SMILES notation for 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine?
The canonical SMILES for 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine is CCCCc1ccc(-c2nc(Nc3ccccn3)co2)cc1.
What is the InChIKey of 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine?
The InChIKey is ZLSGXJIWFPDPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c1-2-3-6-14-8-10-15(11-9-14)18-21-17(13-22-18)20-16-7-4-5-12-19-16/h4-5,7-13H,2-3,6H2,1H3,(H,19,20).
What are the key properties of 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine?
2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine has a molecular weight of 293.37 g/mol, XLogP of 4.82, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butylphenyl)-N-pyridin-2-yl-1,3-oxazol-4-amine is sourced from PubChem (CID 56669257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).