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

C29H38N2O2 — CID 101170637

IUPAC(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@@H](C(C)(C)C)CO2)=N1
InChIInChI=1S/C29H38N2O2/c1-27(2,3)23-19-32-25(30-23)29(17-21-13-9-7-10-14-21,18-22-15-11-8-12-16-22)26-31-24(20-33-26)28(4,5)6/h7-16,23-24H,17-20H2,1-6H3/t23-,24-/m1/s1
InChIKeyGKBCJHLRVUHQRT-DNQXCXABSA-N
MW446.64 g/mol
LogP6.14
Rot. Bonds6

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

(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 101170637) has the molecular formula C29H38N2O2 and a molecular weight of 446.64 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID101170637
Molecular FormulaC29H38N2O2
Molecular Weight446.64 g/mol
Exact Mass446.29
IUPAC Name(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)(C)[C@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@@H](C(C)(C)C)CO2)=N1
InChIInChI=1S/C29H38N2O2/c1-27(2,3)23-19-32-25(30-23)29(17-21-13-9-7-10-14-21,18-22-15-11-8-12-16-22)26-31-24(20-33-26)28(4,5)6/h7-16,23-24H,17-20H2,1-6H3/t23-,24-/m1/s1
InChIKeyGKBCJHLRVUHQRT-DNQXCXABSA-N
XLogP6.14
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.64
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-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-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole (CID 101170637) is (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@@H](C(C)(C)C)CO2)=N1.
What is the InChIKey of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is GKBCJHLRVUHQRT-DNQXCXABSA-N. The full InChI is InChI=1S/C29H38N2O2/c1-27(2,3)23-19-32-25(30-23)29(17-21-13-9-7-10-14-21,18-22-15-11-8-12-16-22)26-31-24(20-33-26)28(4,5)6/h7-16,23-24H,17-20H2,1-6H3/t23-,24-/m1/s1.
What are the key properties of (4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-tert-butyl-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 446.64 g/mol, XLogP of 6.14, 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-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-1,3-diphenylpropan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 101170637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).