4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine

C15H21N3O — CID 80524936

IUPAC4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
SMILESCC(Cc1onc(N)c1-c1ccncc1)C(C)(C)C
InChIInChI=1S/C15H21N3O/c1-10(15(2,3)4)9-12-13(14(16)18-19-12)11-5-7-17-8-6-11/h5-8,10H,9H2,1-4H3,(H2,16,18)
InChIKeyKSFRLAFHVTZQCC-UHFFFAOYSA-N
MW259.35 g/mol
LogP3.54
Rot. Bonds3

About 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine

4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine (PubChem CID 80524936) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
PubChem CID80524936
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine
SMILESCC(Cc1onc(N)c1-c1ccncc1)C(C)(C)C
InChIInChI=1S/C15H21N3O/c1-10(15(2,3)4)9-12-13(14(16)18-19-12)11-5-7-17-8-6-11/h5-8,10H,9H2,1-4H3,(H2,16,18)
InChIKeyKSFRLAFHVTZQCC-UHFFFAOYSA-N
XLogP3.54
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine?
The IUPAC name of 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine (CID 80524936) is 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine is CC(Cc1onc(N)c1-c1ccncc1)C(C)(C)C.
What is the InChIKey of 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine?
The InChIKey is KSFRLAFHVTZQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-10(15(2,3)4)9-12-13(14(16)18-19-12)11-5-7-17-8-6-11/h5-8,10H,9H2,1-4H3,(H2,16,18).
What are the key properties of 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine?
4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine has a molecular weight of 259.35 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-4-yl-5-(2,3,3-trimethylbutyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 80524936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).