3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole

C17H27N3O2 — CID 155020378

IUPAC3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1cc(C(C)CCC(C)c2nc(C(C)C)no2)on1
InChIInChI=1S/C17H27N3O2/c1-10(2)14-9-15(21-19-14)12(5)7-8-13(6)17-18-16(11(3)4)20-22-17/h9-13H,7-8H2,1-6H3
InChIKeyISSXXRWFDPNFBY-UHFFFAOYSA-N
MW305.42 g/mol
LogP4.99
Rot. Bonds7

About 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole

3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole (PubChem CID 155020378) has the molecular formula C17H27N3O2 and a molecular weight of 305.42 g/mol. Its IUPAC name is 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole
PubChem CID155020378
Molecular FormulaC17H27N3O2
Molecular Weight305.42 g/mol
Exact Mass305.21
IUPAC Name3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole
SMILESCC(C)c1cc(C(C)CCC(C)c2nc(C(C)C)no2)on1
InChIInChI=1S/C17H27N3O2/c1-10(2)14-9-15(21-19-14)12(5)7-8-13(6)17-18-16(11(3)4)20-22-17/h9-13H,7-8H2,1-6H3
InChIKeyISSXXRWFDPNFBY-UHFFFAOYSA-N
XLogP4.99
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.42
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole (CID 155020378) is 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole is CC(C)c1cc(C(C)CCC(C)c2nc(C(C)C)no2)on1.
What is the InChIKey of 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole?
The InChIKey is ISSXXRWFDPNFBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O2/c1-10(2)14-9-15(21-19-14)12(5)7-8-13(6)17-18-16(11(3)4)20-22-17/h9-13H,7-8H2,1-6H3.
What are the key properties of 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole?
3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole has a molecular weight of 305.42 g/mol, XLogP of 4.99, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[5-(3-propan-2-yl-1,2-oxazol-5-yl)hexan-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 155020378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).