(4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole

C32H32N2O2 — CID 10073710

IUPAC(4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2ccc3ccccc3c2-c2c(C3=N[C@@H](C(C)C)CO3)ccc3ccccc23)=N1
InChIInChI=1S/C32H32N2O2/c1-19(2)27-17-35-31(33-27)25-15-13-21-9-5-7-11-23(21)29(25)30-24-12-8-6-10-22(24)14-16-26(30)32-34-28(18-36-32)20(3)4/h5-16,19-20,27-28H,17-18H2,1-4H3/t27-,28-/m1/s1
InChIKeyGSYYZBATXJFEKJ-VSGBNLITSA-N
MW476.62 g/mol
LogP7.26
Rot. Bonds5

About (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 10073710) has the molecular formula C32H32N2O2 and a molecular weight of 476.62 g/mol. Its IUPAC name is (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID10073710
Molecular FormulaC32H32N2O2
Molecular Weight476.62 g/mol
Exact Mass476.25
IUPAC Name(4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCC(C)[C@H]1COC(c2ccc3ccccc3c2-c2c(C3=N[C@@H](C(C)C)CO3)ccc3ccccc23)=N1
InChIInChI=1S/C32H32N2O2/c1-19(2)27-17-35-31(33-27)25-15-13-21-9-5-7-11-23(21)29(25)30-24-12-8-6-10-22(24)14-16-26(30)32-34-28(18-36-32)20(3)4/h5-16,19-20,27-28H,17-18H2,1-4H3/t27-,28-/m1/s1
InChIKeyGSYYZBATXJFEKJ-VSGBNLITSA-N
XLogP7.26
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.62
LogP ≤ 57.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-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-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole (CID 10073710) is (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is CC(C)[C@H]1COC(c2ccc3ccccc3c2-c2c(C3=N[C@@H](C(C)C)CO3)ccc3ccccc23)=N1.
What is the InChIKey of (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is GSYYZBATXJFEKJ-VSGBNLITSA-N. The full InChI is InChI=1S/C32H32N2O2/c1-19(2)27-17-35-31(33-27)25-15-13-21-9-5-7-11-23(21)29(25)30-24-12-8-6-10-22(24)14-16-26(30)32-34-28(18-36-32)20(3)4/h5-16,19-20,27-28H,17-18H2,1-4H3/t27-,28-/m1/s1.
What are the key properties of (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole?
(4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 476.62 g/mol, XLogP of 7.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-propan-2-yl-2-[1-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 10073710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).