1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol

C10H13N3O3 — CID 103096517

IUPAC1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2cc(C)no2)n1
InChIInChI=1S/C10H13N3O3/c1-3-4-7(14)9-11-10(16-13-9)8-5-6(2)12-15-8/h5,7,14H,3-4H2,1-2H3
InChIKeyHVMPLYKPNYBMCI-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.87
Rot. Bonds4

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

1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (PubChem CID 103096517) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.

Molecular Properties

Compound Name1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
PubChem CID103096517
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol
SMILESCCCC(O)c1noc(-c2cc(C)no2)n1
InChIInChI=1S/C10H13N3O3/c1-3-4-7(14)9-11-10(16-13-9)8-5-6(2)12-15-8/h5,7,14H,3-4H2,1-2H3
InChIKeyHVMPLYKPNYBMCI-UHFFFAOYSA-N
XLogP1.87
TPSA85.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The IUPAC name of 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol (CID 103096517) is 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol.
What is the SMILES notation for 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The canonical SMILES for 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is CCCC(O)c1noc(-c2cc(C)no2)n1.
What is the InChIKey of 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
The InChIKey is HVMPLYKPNYBMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-3-4-7(14)9-11-10(16-13-9)8-5-6(2)12-15-8/h5,7,14H,3-4H2,1-2H3.
What are the key properties of 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol?
1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol has a molecular weight of 223.23 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methyl-1,2-oxazol-5-yl)-1,2,4-oxadiazol-3-yl]butan-1-ol is sourced from PubChem (CID 103096517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).