3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide

C20H28N2O2 — CID 59510746

IUPAC3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide
SMILESCC(C)(C)C1COC(c2cccc(C(=O)NC3CCCCC3)c2)=N1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)17-13-24-19(22-17)15-9-7-8-14(12-15)18(23)21-16-10-5-4-6-11-16/h7-9,12,16-17H,4-6,10-11,13H2,1-3H3,(H,21,23)
InChIKeyHEKVRNHFWONRFA-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.94
Rot. Bonds3

About 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide

3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide (PubChem CID 59510746) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide.

Molecular Properties

Compound Name3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide
PubChem CID59510746
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide
SMILESCC(C)(C)C1COC(c2cccc(C(=O)NC3CCCCC3)c2)=N1
InChIInChI=1S/C20H28N2O2/c1-20(2,3)17-13-24-19(22-17)15-9-7-8-14(12-15)18(23)21-16-10-5-4-6-11-16/h7-9,12,16-17H,4-6,10-11,13H2,1-3H3,(H,21,23)
InChIKeyHEKVRNHFWONRFA-UHFFFAOYSA-N
XLogP3.94
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide?
The IUPAC name of 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide (CID 59510746) is 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide.
What is the SMILES notation for 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide?
The canonical SMILES for 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide is CC(C)(C)C1COC(c2cccc(C(=O)NC3CCCCC3)c2)=N1.
What is the InChIKey of 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide?
The InChIKey is HEKVRNHFWONRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-20(2,3)17-13-24-19(22-17)15-9-7-8-14(12-15)18(23)21-16-10-5-4-6-11-16/h7-9,12,16-17H,4-6,10-11,13H2,1-3H3,(H,21,23).
What are the key properties of 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide?
3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide has a molecular weight of 328.46 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide is sourced from PubChem (CID 59510746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).