(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole

C23H42N2O2 — CID 15212537

IUPAC(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)CC(CC(C)C)(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C23H42N2O2/c1-15(2)11-23(12-16(3)4,19-24-17(13-26-19)21(5,6)7)20-25-18(14-27-20)22(8,9)10/h15-18H,11-14H2,1-10H3/t17-,18-/m1/s1
InChIKeyZLIPYMOIKGSCQB-QZTJIDSGSA-N
MW378.60 g/mol
LogP5.75
Rot. Bonds6

About (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 15212537) has the molecular formula C23H42N2O2 and a molecular weight of 378.60 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole
PubChem CID15212537
Molecular FormulaC23H42N2O2
Molecular Weight378.60 g/mol
Exact Mass378.32
IUPAC Name(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)CC(CC(C)C)(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C23H42N2O2/c1-15(2)11-23(12-16(3)4,19-24-17(13-26-19)21(5,6)7)20-25-18(14-27-20)22(8,9)10/h15-18H,11-14H2,1-10H3/t17-,18-/m1/s1
InChIKeyZLIPYMOIKGSCQB-QZTJIDSGSA-N
XLogP5.75
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 ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole (CID 15212537) is (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole is CC(C)CC(CC(C)C)(C1=N[C@@H](C(C)(C)C)CO1)C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is ZLIPYMOIKGSCQB-QZTJIDSGSA-N. The full InChI is InChI=1S/C23H42N2O2/c1-15(2)11-23(12-16(3)4,19-24-17(13-26-19)21(5,6)7)20-25-18(14-27-20)22(8,9)10/h15-18H,11-14H2,1-10H3/t17-,18-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 378.60 g/mol, XLogP of 5.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-2-[4-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-2,6-dimethylheptan-4-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15212537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).