3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole

C20H27N3O4 — CID 138663615

IUPAC3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole
SMILESCOc1cc(C(C)CCC(Cc2cc(C(C)C)no2)c2cc(C)on2)on1
InChIInChI=1S/C20H27N3O4/c1-12(2)17-10-16(26-21-17)9-15(18-8-14(4)25-22-18)7-6-13(3)19-11-20(24-5)23-27-19/h8,10-13,15H,6-7,9H2,1-5H3
InChIKeyGKKMUZRFYUVLBN-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.00
Rot. Bonds9

About 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole

3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole (PubChem CID 138663615) has the molecular formula C20H27N3O4 and a molecular weight of 373.45 g/mol. Its IUPAC name is 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole
PubChem CID138663615
Molecular FormulaC20H27N3O4
Molecular Weight373.45 g/mol
Exact Mass373.20
IUPAC Name3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole
SMILESCOc1cc(C(C)CCC(Cc2cc(C(C)C)no2)c2cc(C)on2)on1
InChIInChI=1S/C20H27N3O4/c1-12(2)17-10-16(26-21-17)9-15(18-8-14(4)25-22-18)7-6-13(3)19-11-20(24-5)23-27-19/h8,10-13,15H,6-7,9H2,1-5H3
InChIKeyGKKMUZRFYUVLBN-UHFFFAOYSA-N
XLogP5.00
TPSA87.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole?
The IUPAC name of 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole (CID 138663615) is 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole?
The canonical SMILES for 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole is COc1cc(C(C)CCC(Cc2cc(C(C)C)no2)c2cc(C)on2)on1.
What is the InChIKey of 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole?
The InChIKey is GKKMUZRFYUVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O4/c1-12(2)17-10-16(26-21-17)9-15(18-8-14(4)25-22-18)7-6-13(3)19-11-20(24-5)23-27-19/h8,10-13,15H,6-7,9H2,1-5H3.
What are the key properties of 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole?
3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole has a molecular weight of 373.45 g/mol, XLogP of 5.00, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-[5-(5-methyl-1,2-oxazol-3-yl)-6-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2-oxazole is sourced from PubChem (CID 138663615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).