4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine

C17H17N3O — CID 80521077

IUPAC4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(C)c(-c2noc(N)c2-c2ccccn2)c(C)c1
InChIInChI=1S/C17H17N3O/c1-10-8-11(2)14(12(3)9-10)16-15(17(18)21-20-16)13-6-4-5-7-19-13/h4-9H,18H2,1-3H3
InChIKeyHHQPLPULKJOMTD-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.91
Rot. Bonds2

About 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine

4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine (PubChem CID 80521077) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
PubChem CID80521077
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
SMILESCc1cc(C)c(-c2noc(N)c2-c2ccccn2)c(C)c1
InChIInChI=1S/C17H17N3O/c1-10-8-11(2)14(12(3)9-10)16-15(17(18)21-20-16)13-6-4-5-7-19-13/h4-9H,18H2,1-3H3
InChIKeyHHQPLPULKJOMTD-UHFFFAOYSA-N
XLogP3.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine (CID 80521077) is 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine is Cc1cc(C)c(-c2noc(N)c2-c2ccccn2)c(C)c1.
What is the InChIKey of 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
The InChIKey is HHQPLPULKJOMTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-10-8-11(2)14(12(3)9-10)16-15(17(18)21-20-16)13-6-4-5-7-19-13/h4-9H,18H2,1-3H3.
What are the key properties of 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine?
4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine has a molecular weight of 279.34 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 80521077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).