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

C20H34N2O2 — CID 101347334

IUPAC(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC([C@H]2CCCC[C@@H]2C2=N[C@H](C(C)(C)C)CO2)=N1
InChIInChI=1S/C20H34N2O2/c1-19(2,3)15-11-23-17(21-15)13-9-7-8-10-14(13)18-22-16(12-24-18)20(4,5)6/h13-16H,7-12H2,1-6H3/t13-,14-,15-,16-/m0/s1
InChIKeyDLTBHDXQHRRSOR-VGWMRTNUSA-N
MW334.50 g/mol
LogP4.48
Rot. Bonds2

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

(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole (PubChem CID 101347334) has the molecular formula C20H34N2O2 and a molecular weight of 334.50 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
PubChem CID101347334
Molecular FormulaC20H34N2O2
Molecular Weight334.50 g/mol
Exact Mass334.26
IUPAC Name(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@@H]1COC([C@H]2CCCC[C@@H]2C2=N[C@H](C(C)(C)C)CO2)=N1
InChIInChI=1S/C20H34N2O2/c1-19(2,3)15-11-23-17(21-15)13-9-7-8-10-14(13)18-22-16(12-24-18)20(4,5)6/h13-16H,7-12H2,1-6H3/t13-,14-,15-,16-/m0/s1
InChIKeyDLTBHDXQHRRSOR-VGWMRTNUSA-N
XLogP4.48
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.50
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole (CID 101347334) is (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@@H]1COC([C@H]2CCCC[C@@H]2C2=N[C@H](C(C)(C)C)CO2)=N1.
What is the InChIKey of (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is DLTBHDXQHRRSOR-VGWMRTNUSA-N. The full InChI is InChI=1S/C20H34N2O2/c1-19(2,3)15-11-23-17(21-15)13-9-7-8-10-14(13)18-22-16(12-24-18)20(4,5)6/h13-16H,7-12H2,1-6H3/t13-,14-,15-,16-/m0/s1.
What are the key properties of (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole?
(4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 334.50 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-tert-butyl-2-[(1S,2S)-2-[(4R)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]cyclohexyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101347334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).