4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole

C25H26N2O2 — CID 139481495

IUPAC4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole
SMILESCc1coc(-c2cccc(C(C)Cc3cnc(-c4cccc(C(C)C)c4)o3)c2)n1
InChIInChI=1S/C25H26N2O2/c1-16(2)19-7-5-9-21(12-19)24-26-14-23(29-24)11-17(3)20-8-6-10-22(13-20)25-27-18(4)15-28-25/h5-10,12-17H,11H2,1-4H3
InChIKeyPTPGEVNXVJQXOQ-UHFFFAOYSA-N
MW386.50 g/mol
LogP6.77
Rot. Bonds6

About 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole

4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole (PubChem CID 139481495) has the molecular formula C25H26N2O2 and a molecular weight of 386.50 g/mol. Its IUPAC name is 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole
PubChem CID139481495
Molecular FormulaC25H26N2O2
Molecular Weight386.50 g/mol
Exact Mass386.20
IUPAC Name4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole
SMILESCc1coc(-c2cccc(C(C)Cc3cnc(-c4cccc(C(C)C)c4)o3)c2)n1
InChIInChI=1S/C25H26N2O2/c1-16(2)19-7-5-9-21(12-19)24-26-14-23(29-24)11-17(3)20-8-6-10-22(13-20)25-27-18(4)15-28-25/h5-10,12-17H,11H2,1-4H3
InChIKeyPTPGEVNXVJQXOQ-UHFFFAOYSA-N
XLogP6.77
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.50
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole?
The IUPAC name of 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole (CID 139481495) is 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole is Cc1coc(-c2cccc(C(C)Cc3cnc(-c4cccc(C(C)C)c4)o3)c2)n1.
What is the InChIKey of 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole?
The InChIKey is PTPGEVNXVJQXOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O2/c1-16(2)19-7-5-9-21(12-19)24-26-14-23(29-24)11-17(3)20-8-6-10-22(13-20)25-27-18(4)15-28-25/h5-10,12-17H,11H2,1-4H3.
What are the key properties of 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole?
4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole has a molecular weight of 386.50 g/mol, XLogP of 6.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[3-[1-[2-(3-propan-2-ylphenyl)-1,3-oxazol-5-yl]propan-2-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 139481495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).