2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine

C18H26N2O — CID 167826849

IUPAC2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine
SMILESCC(C)(C)c1ccc(C(C)(C)CNCc2cnco2)cc1
InChIInChI=1S/C18H26N2O/c1-17(2,3)14-6-8-15(9-7-14)18(4,5)12-19-10-16-11-20-13-21-16/h6-9,11,13,19H,10,12H2,1-5H3
InChIKeyQAQRPHNKJQZKLD-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.04
Rot. Bonds5

About 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine

2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine (PubChem CID 167826849) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine
PubChem CID167826849
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine
SMILESCC(C)(C)c1ccc(C(C)(C)CNCc2cnco2)cc1
InChIInChI=1S/C18H26N2O/c1-17(2,3)14-6-8-15(9-7-14)18(4,5)12-19-10-16-11-20-13-21-16/h6-9,11,13,19H,10,12H2,1-5H3
InChIKeyQAQRPHNKJQZKLD-UHFFFAOYSA-N
XLogP4.04
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine?
The IUPAC name of 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine (CID 167826849) is 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine.
What is the SMILES notation for 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine?
The canonical SMILES for 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine is CC(C)(C)c1ccc(C(C)(C)CNCc2cnco2)cc1.
What is the InChIKey of 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine?
The InChIKey is QAQRPHNKJQZKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-17(2,3)14-6-8-15(9-7-14)18(4,5)12-19-10-16-11-20-13-21-16/h6-9,11,13,19H,10,12H2,1-5H3.
What are the key properties of 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine?
2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-2-methyl-N-(1,3-oxazol-5-ylmethyl)propan-1-amine is sourced from PubChem (CID 167826849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).