(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole

C23H42N2O2 — CID 18345538

IUPAC(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole
SMILESCCC1(CC)OC(CC2=N[C@H](C(C)(C)C)C(CC)(CC)O2)=N[C@@H]1C(C)(C)C
InChIInChI=1S/C23H42N2O2/c1-11-22(12-2)18(20(5,6)7)24-16(26-22)15-17-25-19(21(8,9)10)23(13-3,14-4)27-17/h18-19H,11-15H2,1-10H3/t18-,19-/m1/s1
InChIKeyBJQMHFJWWQZUKG-RTBURBONSA-N
MW378.60 g/mol
LogP6.18
Rot. Bonds6

About (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole

(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole (PubChem CID 18345538) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole.

Molecular Properties

Compound Name(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole
PubChem CID18345538
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole
SMILESCCC1(CC)OC(CC2=N[C@H](C(C)(C)C)C(CC)(CC)O2)=N[C@@H]1C(C)(C)C
InChIInChI=1S/C23H42N2O2/c1-11-22(12-2)18(20(5,6)7)24-16(26-22)15-17-25-19(21(8,9)10)23(13-3,14-4)27-17/h18-19H,11-15H2,1-10H3/t18-,19-/m1/s1
InChIKeyBJQMHFJWWQZUKG-RTBURBONSA-N
XLogP6.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.60
LogP ≤ 56.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole?
The IUPAC name of (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole (CID 18345538) is (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole.
What is the SMILES notation for (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole?
The canonical SMILES for (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole is CCC1(CC)OC(CC2=N[C@H](C(C)(C)C)C(CC)(CC)O2)=N[C@@H]1C(C)(C)C.
What is the InChIKey of (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole?
The InChIKey is BJQMHFJWWQZUKG-RTBURBONSA-N. The full InChI is InChI=1S/C23H42N2O2/c1-11-22(12-2)18(20(5,6)7)24-16(26-22)15-17-25-19(21(8,9)10)23(13-3,14-4)27-17/h18-19H,11-15H2,1-10H3/t18-,19-/m1/s1.
What are the key properties of (4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole?
(4R)-4-tert-butyl-2-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole has a molecular weight of 378.60 g/mol, XLogP of 6.18, 6 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-[[(4R)-4-tert-butyl-5,5-diethyl-4H-1,3-oxazol-2-yl]methyl]-5,5-diethyl-4H-1,3-oxazole is sourced from PubChem (CID 18345538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).