2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole

C11H11F2N3O3 — CID 156525903

IUPAC2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2coc(COCC3CC3)n2)o1
InChIInChI=1S/C11H11F2N3O3/c12-9(13)11-16-15-10(19-11)7-4-18-8(14-7)5-17-3-6-1-2-6/h4,6,9H,1-3,5H2
InChIKeyMOHVIQXZNGPVGI-UHFFFAOYSA-N
MW271.22 g/mol
LogP2.59
Rot. Bonds6

About 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole

2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole (PubChem CID 156525903) has the molecular formula C11H11F2N3O3 and a molecular weight of 271.22 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole
PubChem CID156525903
Molecular FormulaC11H11F2N3O3
Molecular Weight271.22 g/mol
Exact Mass271.08
IUPAC Name2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole
SMILESFC(F)c1nnc(-c2coc(COCC3CC3)n2)o1
InChIInChI=1S/C11H11F2N3O3/c12-9(13)11-16-15-10(19-11)7-4-18-8(14-7)5-17-3-6-1-2-6/h4,6,9H,1-3,5H2
InChIKeyMOHVIQXZNGPVGI-UHFFFAOYSA-N
XLogP2.59
TPSA74.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole (CID 156525903) is 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole is FC(F)c1nnc(-c2coc(COCC3CC3)n2)o1.
What is the InChIKey of 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole?
The InChIKey is MOHVIQXZNGPVGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O3/c12-9(13)11-16-15-10(19-11)7-4-18-8(14-7)5-17-3-6-1-2-6/h4,6,9H,1-3,5H2.
What are the key properties of 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole?
2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole has a molecular weight of 271.22 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxymethyl)-1,3-oxazol-4-yl]-5-(difluoromethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 156525903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).