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

C22H31N3O3 — CID 137430047

IUPAC4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole
SMILESCc1coc(C(C)CCc2cnc(C(C)CCc3oc(C(C)C)nc3C)o2)n1
InChIInChI=1S/C22H31N3O3/c1-13(2)20-25-17(6)19(28-20)10-8-14(3)21-23-11-18(27-21)9-7-15(4)22-24-16(5)12-26-22/h11-15H,7-10H2,1-6H3
InChIKeyCKCADFIDSWEEKG-UHFFFAOYSA-N
MW385.51 g/mol
LogP5.86
Rot. Bonds9

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

4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole (PubChem CID 137430047) has the molecular formula C22H31N3O3 and a molecular weight of 385.51 g/mol. Its IUPAC name is 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole
PubChem CID137430047
Molecular FormulaC22H31N3O3
Molecular Weight385.51 g/mol
Exact Mass385.24
IUPAC Name4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole
SMILESCc1coc(C(C)CCc2cnc(C(C)CCc3oc(C(C)C)nc3C)o2)n1
InChIInChI=1S/C22H31N3O3/c1-13(2)20-25-17(6)19(28-20)10-8-14(3)21-23-11-18(27-21)9-7-15(4)22-24-16(5)12-26-22/h11-15H,7-10H2,1-6H3
InChIKeyCKCADFIDSWEEKG-UHFFFAOYSA-N
XLogP5.86
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-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 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole?
The IUPAC name of 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole (CID 137430047) is 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole?
The canonical SMILES for 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole is Cc1coc(C(C)CCc2cnc(C(C)CCc3oc(C(C)C)nc3C)o2)n1.
What is the InChIKey of 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole?
The InChIKey is CKCADFIDSWEEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O3/c1-13(2)20-25-17(6)19(28-20)10-8-14(3)21-23-11-18(27-21)9-7-15(4)22-24-16(5)12-26-22/h11-15H,7-10H2,1-6H3.
What are the key properties of 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole?
4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole has a molecular weight of 385.51 g/mol, XLogP of 5.86, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[3-[5-[3-(4-methyl-1,3-oxazol-2-yl)butyl]-1,3-oxazol-2-yl]butyl]-2-propan-2-yl-1,3-oxazole is sourced from PubChem (CID 137430047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).