2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate

C12H10F2N2O4 — CID 174643945

IUPAC2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate
SMILESO=COCCc1nnc(-c2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C12H10F2N2O4/c13-12(14)19-9-3-1-8(2-4-9)11-16-15-10(20-11)5-6-18-7-17/h1-4,7,12H,5-6H2
InChIKeyOMOJYWGFDIDTKO-UHFFFAOYSA-N
MW284.22 g/mol
LogP2.05
Rot. Bonds7

About 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate

2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate (PubChem CID 174643945) has the molecular formula C12H10F2N2O4 and a molecular weight of 284.22 g/mol. Its IUPAC name is 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate.

Molecular Properties

Compound Name2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate
PubChem CID174643945
Molecular FormulaC12H10F2N2O4
Molecular Weight284.22 g/mol
Exact Mass284.06
IUPAC Name2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate
SMILESO=COCCc1nnc(-c2ccc(OC(F)F)cc2)o1
InChIInChI=1S/C12H10F2N2O4/c13-12(14)19-9-3-1-8(2-4-9)11-16-15-10(20-11)5-6-18-7-17/h1-4,7,12H,5-6H2
InChIKeyOMOJYWGFDIDTKO-UHFFFAOYSA-N
XLogP2.05
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.22
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl formate
CID 174693018
2-[4-(difluoromethoxy)phenyl]-5-prop-2-enylsulfanyl-1,3,4-oxadiazole
CID 78765758
2-[4-(difluoromethoxy)phenyl]-5-[2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-1,3,4-oxadiazole
CID 19550766
2-[4-(difluoromethoxy)phenyl]-5-[(3-nitropyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 19550639
2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164986
4-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]butanoic acid
CID 139557932
2-[4-(difluoromethoxy)phenyl]-5-[2-(4-ethoxyphenoxy)ethylsulfanyl]-1,3,4-oxadiazole
CID 112787109
2-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N,N-dimethylacetamide
CID 78765982
2-(2-chloroethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 43513285
2-[4-(difluoromethoxy)phenyl]-5-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-1,3,4-oxadiazole
CID 19542351
3-[[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]sulfanyl]propyl (2S)-2-hydroxypropanoate
CID 124737459
N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62165008

Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate?
The IUPAC name of 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate (CID 174643945) is 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate.
What is the SMILES notation for 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate?
The canonical SMILES for 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate is O=COCCc1nnc(-c2ccc(OC(F)F)cc2)o1.
What is the InChIKey of 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate?
The InChIKey is OMOJYWGFDIDTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F2N2O4/c13-12(14)19-9-3-1-8(2-4-9)11-16-15-10(20-11)5-6-18-7-17/h1-4,7,12H,5-6H2.
What are the key properties of 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate?
2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate has a molecular weight of 284.22 g/mol, XLogP of 2.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl formate is sourced from PubChem (CID 174643945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).