4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole

C20H28N2O2 — CID 15447611

IUPAC4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(c2cccc(C3=NC(C(C)(C)C)CO3)c2)=N1
InChIInChI=1S/C20H28N2O2/c1-19(2,3)15-11-23-17(21-15)13-8-7-9-14(10-13)18-22-16(12-24-18)20(4,5)6/h7-10,15-16H,11-12H2,1-6H3
InChIKeyKFPRVQMSDHGRIS-UHFFFAOYSA-N
MW328.46 g/mol
LogP4.07
Rot. Bonds2

About 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole

4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 15447611) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
PubChem CID15447611
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)C1COC(c2cccc(C3=NC(C(C)(C)C)CO3)c2)=N1
InChIInChI=1S/C20H28N2O2/c1-19(2,3)15-11-23-17(21-15)13-8-7-9-14(10-13)18-22-16(12-24-18)20(4,5)6/h7-10,15-16H,11-12H2,1-6H3
InChIKeyKFPRVQMSDHGRIS-UHFFFAOYSA-N
XLogP4.07
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4S)-2-[2-[2,6-bis[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-3-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 23727304
(4S)-4-tert-butyl-2-(2-phenylphenyl)-4,5-dihydro-1,3-oxazole
CID 71232307
(4R)-2-benzo[f][1,3]benzodioxol-6-yl-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 11173998
3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)-N-cyclohexylbenzamide
CID 59510746
(4R)-4-tert-butyl-2-[4-(trifluoromethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 154718154
(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole
CID 11092372
(4R)-4-tert-butyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 146025915
(4S)-4-tert-butyl-2-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-3,6-diphenyl-9H-carbazol-1-yl]-4,5-dihydro-1,3-oxazole
CID 11296045
(4R)-4-tert-butyl-2-pyridin-2-yl-4,5-dihydro-1,3-oxazole
CID 101039596
2-(2-bromophenyl)-4-tert-butyl-4,5-dihydro-1,3-oxazole
CID 53421125
(4S)-4-tert-butyl-2-(3-chloro-2-pyridinyl)-4,5-dihydro-1,3-oxazole
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CID 72835928
CID 72835928

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole (CID 15447611) is 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)C1COC(c2cccc(C3=NC(C(C)(C)C)CO3)c2)=N1.
What is the InChIKey of 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is KFPRVQMSDHGRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-19(2,3)15-11-23-17(21-15)13-8-7-9-14(10-13)18-22-16(12-24-18)20(4,5)6/h7-10,15-16H,11-12H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole?
4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 328.46 g/mol, XLogP of 4.07, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[3-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15447611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).