5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole

C38H46N2O2S — CID 141224193

IUPAC5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole
SMILESCCC(Cc1nc(-c2ccc(-c3nc(CC(CC)c4ccccc4)c(C(C)(C)C)o3)s2)oc1C(C)(C)C)c1ccccc1
InChIInChI=1S/C38H46N2O2S/c1-9-25(27-17-13-11-14-18-27)23-29-33(37(3,4)5)41-35(39-29)31-21-22-32(43-31)36-40-30(34(42-36)38(6,7)8)24-26(10-2)28-19-15-12-16-20-28/h11-22,25-26H,9-10,23-24H2,1-8H3
InChIKeyCHMZZFTXKFETKL-UHFFFAOYSA-N
MW594.87 g/mol
LogP11.13
Rot. Bonds10

About 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole

5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole (PubChem CID 141224193) has the molecular formula C38H46N2O2S and a molecular weight of 594.87 g/mol. Its IUPAC name is 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole
PubChem CID141224193
Molecular FormulaC38H46N2O2S
Molecular Weight594.87 g/mol
Exact Mass594.33
IUPAC Name5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole
SMILESCCC(Cc1nc(-c2ccc(-c3nc(CC(CC)c4ccccc4)c(C(C)(C)C)o3)s2)oc1C(C)(C)C)c1ccccc1
InChIInChI=1S/C38H46N2O2S/c1-9-25(27-17-13-11-14-18-27)23-29-33(37(3,4)5)41-35(39-29)31-21-22-32(43-31)36-40-30(34(42-36)38(6,7)8)24-26(10-2)28-19-15-12-16-20-28/h11-22,25-26H,9-10,23-24H2,1-8H3
InChIKeyCHMZZFTXKFETKL-UHFFFAOYSA-N
XLogP11.13
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500594.87
LogP ≤ 511.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-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 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole (CID 141224193) is 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole is CCC(Cc1nc(-c2ccc(-c3nc(CC(CC)c4ccccc4)c(C(C)(C)C)o3)s2)oc1C(C)(C)C)c1ccccc1.
What is the InChIKey of 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole?
The InChIKey is CHMZZFTXKFETKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46N2O2S/c1-9-25(27-17-13-11-14-18-27)23-29-33(37(3,4)5)41-35(39-29)31-21-22-32(43-31)36-40-30(34(42-36)38(6,7)8)24-26(10-2)28-19-15-12-16-20-28/h11-22,25-26H,9-10,23-24H2,1-8H3.
What are the key properties of 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole?
5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole has a molecular weight of 594.87 g/mol, XLogP of 11.13, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[5-[5-tert-butyl-4-(2-phenylbutyl)-1,3-oxazol-2-yl]thiophen-2-yl]-4-(2-phenylbutyl)-1,3-oxazole is sourced from PubChem (CID 141224193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).