(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole

C32H32N2O4 — CID 102292377

IUPAC(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc2cc([C@@H](C)C3=N[C@@H]([C@H]4COC([C@H](C)c5ccc6cc(OC)ccc6c5)=N4)CO3)ccc2c1
InChIInChI=1S/C32H32N2O4/c1-19(21-5-7-25-15-27(35-3)11-9-23(25)13-21)31-33-29(17-37-31)30-18-38-32(34-30)20(2)22-6-8-26-16-28(36-4)12-10-24(26)14-22/h5-16,19-20,29-30H,17-18H2,1-4H3/t19-,20-,29-,30-/m1/s1
InChIKeyUBZVYJIKRUPAPU-XYTTVBAYSA-N
MW508.62 g/mol
LogP6.51
Rot. Bonds7

About (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole

(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 102292377) has the molecular formula C32H32N2O4 and a molecular weight of 508.62 g/mol. Its IUPAC name is (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
PubChem CID102292377
Molecular FormulaC32H32N2O4
Molecular Weight508.62 g/mol
Exact Mass508.24
IUPAC Name(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole
SMILESCOc1ccc2cc([C@@H](C)C3=N[C@@H]([C@H]4COC([C@H](C)c5ccc6cc(OC)ccc6c5)=N4)CO3)ccc2c1
InChIInChI=1S/C32H32N2O4/c1-19(21-5-7-25-15-27(35-3)11-9-23(25)13-21)31-33-29(17-37-31)30-18-38-32(34-30)20(2)22-6-8-26-16-28(36-4)12-10-24(26)14-22/h5-16,19-20,29-30H,17-18H2,1-4H3/t19-,20-,29-,30-/m1/s1
InChIKeyUBZVYJIKRUPAPU-XYTTVBAYSA-N
XLogP6.51
TPSA61.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.62
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole (CID 102292377) is (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole is COc1ccc2cc([C@@H](C)C3=N[C@@H]([C@H]4COC([C@H](C)c5ccc6cc(OC)ccc6c5)=N4)CO3)ccc2c1.
What is the InChIKey of (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is UBZVYJIKRUPAPU-XYTTVBAYSA-N. The full InChI is InChI=1S/C32H32N2O4/c1-19(21-5-7-25-15-27(35-3)11-9-23(25)13-21)31-33-29(17-37-31)30-18-38-32(34-30)20(2)22-6-8-26-16-28(36-4)12-10-24(26)14-22/h5-16,19-20,29-30H,17-18H2,1-4H3/t19-,20-,29-,30-/m1/s1.
What are the key properties of (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole?
(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 508.62 g/mol, XLogP of 6.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4-[(4S)-2-[(1R)-1-(6-methoxynaphthalen-2-yl)ethyl]-4,5-dihydro-1,3-oxazol-4-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 102292377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).