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

C20H27N3O3 — CID 139425569

IUPAC4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole
SMILESCc1ncoc1C(C)Cc1cc(C(C)CCc2cc(C(C)C)no2)no1
InChIInChI=1S/C20H27N3O3/c1-12(2)18-9-16(25-22-18)7-6-13(3)19-10-17(26-23-19)8-14(4)20-15(5)21-11-24-20/h9-14H,6-8H2,1-5H3
InChIKeyIAABJVWUVXPRFM-UHFFFAOYSA-N
MW357.45 g/mol
LogP5.16
Rot. Bonds8

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

4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole (PubChem CID 139425569) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole
PubChem CID139425569
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole
SMILESCc1ncoc1C(C)Cc1cc(C(C)CCc2cc(C(C)C)no2)no1
InChIInChI=1S/C20H27N3O3/c1-12(2)18-9-16(25-22-18)7-6-13(3)19-10-17(26-23-19)8-14(4)20-15(5)21-11-24-20/h9-14H,6-8H2,1-5H3
InChIKeyIAABJVWUVXPRFM-UHFFFAOYSA-N
XLogP5.16
TPSA78.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole?
The IUPAC name of 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole (CID 139425569) is 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole.
What is the SMILES notation for 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole?
The canonical SMILES for 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole is Cc1ncoc1C(C)Cc1cc(C(C)CCc2cc(C(C)C)no2)no1.
What is the InChIKey of 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole?
The InChIKey is IAABJVWUVXPRFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-12(2)18-9-16(25-22-18)7-6-13(3)19-10-17(26-23-19)8-14(4)20-15(5)21-11-24-20/h9-14H,6-8H2,1-5H3.
What are the key properties of 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole?
4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole has a molecular weight of 357.45 g/mol, XLogP of 5.16, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[1-[3-[4-(3-propan-2-yl-1,2-oxazol-5-yl)butan-2-yl]-1,2-oxazol-5-yl]propan-2-yl]-1,3-oxazole is sourced from PubChem (CID 139425569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).