2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline

C20H29N3O2 — CID 67237436

IUPAC2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline
SMILESCC(C)(C)C1COC(c2cccc(N)c2C2=NC(C(C)(C)C)CO2)=N1
InChIInChI=1S/C20H29N3O2/c1-19(2,3)14-10-24-17(22-14)12-8-7-9-13(21)16(12)18-23-15(11-25-18)20(4,5)6/h7-9,14-15H,10-11,21H2,1-6H3
InChIKeyNUXSRYDMTLFIJW-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.65
Rot. Bonds2

About 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline

2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline (PubChem CID 67237436) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline.

Molecular Properties

Compound Name2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline
PubChem CID67237436
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC Name2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline
SMILESCC(C)(C)C1COC(c2cccc(N)c2C2=NC(C(C)(C)C)CO2)=N1
InChIInChI=1S/C20H29N3O2/c1-19(2,3)14-10-24-17(22-14)12-8-7-9-13(21)16(12)18-23-15(11-25-18)20(4,5)6/h7-9,14-15H,10-11,21H2,1-6H3
InChIKeyNUXSRYDMTLFIJW-UHFFFAOYSA-N
XLogP3.65
TPSA69.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline?
The IUPAC name of 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline (CID 67237436) is 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline.
What is the SMILES notation for 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline?
The canonical SMILES for 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline is CC(C)(C)C1COC(c2cccc(N)c2C2=NC(C(C)(C)C)CO2)=N1.
What is the InChIKey of 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline?
The InChIKey is NUXSRYDMTLFIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-19(2,3)14-10-24-17(22-14)12-8-7-9-13(21)16(12)18-23-15(11-25-18)20(4,5)6/h7-9,14-15H,10-11,21H2,1-6H3.
What are the key properties of 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline?
2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline has a molecular weight of 343.47 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)aniline is sourced from PubChem (CID 67237436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).