N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine

C19H20N2O — CID 16759412

IUPACN-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine
SMILESCC(C)(C)Nc1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-19(2,3)21-18-16(14-10-6-4-7-11-14)20-17(22-18)15-12-8-5-9-13-15/h4-13,21H,1-3H3
InChIKeyKPUXMAGHWCHWJO-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.22
Rot. Bonds3

About N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine

N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine (PubChem CID 16759412) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine.

Molecular Properties

Compound NameN-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine
PubChem CID16759412
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC NameN-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine
SMILESCC(C)(C)Nc1oc(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C19H20N2O/c1-19(2,3)21-18-16(14-10-6-4-7-11-14)20-17(22-18)15-12-8-5-9-13-15/h4-13,21H,1-3H3
InChIKeyKPUXMAGHWCHWJO-UHFFFAOYSA-N
XLogP5.22
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine?
The IUPAC name of N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine (CID 16759412) is N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine.
What is the SMILES notation for N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine?
The canonical SMILES for N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine is CC(C)(C)Nc1oc(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine?
The InChIKey is KPUXMAGHWCHWJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-19(2,3)21-18-16(14-10-6-4-7-11-14)20-17(22-18)15-12-8-5-9-13-15/h4-13,21H,1-3H3.
What are the key properties of N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine?
N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine has a molecular weight of 292.38 g/mol, XLogP of 5.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2,4-diphenyl-1,3-oxazol-5-amine is sourced from PubChem (CID 16759412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).