3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole

C14H19N3O4 — CID 167801830

IUPAC3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESCC(C)c1cc(-c2nc(COCC3CCOC3)no2)no1
InChIInChI=1S/C14H19N3O4/c1-9(2)12-5-11(16-20-12)14-15-13(17-21-14)8-19-7-10-3-4-18-6-10/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyLKGWNABVURFKCG-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.40
Rot. Bonds6

About 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole

3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole (PubChem CID 167801830) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
PubChem CID167801830
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole
SMILESCC(C)c1cc(-c2nc(COCC3CCOC3)no2)no1
InChIInChI=1S/C14H19N3O4/c1-9(2)12-5-11(16-20-12)14-15-13(17-21-14)8-19-7-10-3-4-18-6-10/h5,9-10H,3-4,6-8H2,1-2H3
InChIKeyLKGWNABVURFKCG-UHFFFAOYSA-N
XLogP2.40
TPSA83.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole (CID 167801830) is 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole is CC(C)c1cc(-c2nc(COCC3CCOC3)no2)no1.
What is the InChIKey of 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is LKGWNABVURFKCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-9(2)12-5-11(16-20-12)14-15-13(17-21-14)8-19-7-10-3-4-18-6-10/h5,9-10H,3-4,6-8H2,1-2H3.
What are the key properties of 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole?
3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 293.32 g/mol, XLogP of 2.40, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-ylmethoxymethyl)-5-(5-propan-2-yl-1,2-oxazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167801830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).