2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole

C14H17FN2O3 — CID 91652636

IUPAC2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccc(F)cc2OC(C)C)o1
InChIInChI=1S/C14H17FN2O3/c1-4-13-16-17-14(20-13)8-18-11-6-5-10(15)7-12(11)19-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyFDECQFSRAHXPKZ-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.14
Rot. Bonds6

About 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole

2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole (PubChem CID 91652636) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole
PubChem CID91652636
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole
SMILESCCc1nnc(COc2ccc(F)cc2OC(C)C)o1
InChIInChI=1S/C14H17FN2O3/c1-4-13-16-17-14(20-13)8-18-11-6-5-10(15)7-12(11)19-9(2)3/h5-7,9H,4,8H2,1-3H3
InChIKeyFDECQFSRAHXPKZ-UHFFFAOYSA-N
XLogP3.14
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-fluorophenyl]methyl]propan-1-amine
CID 107695794
1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanol
CID 43503948
4-fluoro-1-methoxy-2-propan-2-yloxybenzene
CID 126993061
2-(chloromethyl)-5-[(2,4-difluorophenoxy)methyl]-1,3,4-oxadiazole
CID 39360983
2-[(2-tert-butylphenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 64764031
[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782963
(1S)-1-[2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-5-nitrophenyl]ethanol
CID 104890472
1-[5-bromo-2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-ethylethanamine
CID 62392990
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467823
2-[(3-bromo-4-fluorophenoxy)methyl]-5-ethyl-1,3,4-oxadiazole
CID 83236085
4-fluoro-2-(methoxymethoxy)-1-propan-2-yloxybenzene
CID 165354855
(1S)-1-[2-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-4-fluorophenyl]ethanol
CID 55188832

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole (CID 91652636) is 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole is CCc1nnc(COc2ccc(F)cc2OC(C)C)o1.
What is the InChIKey of 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole?
The InChIKey is FDECQFSRAHXPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-4-13-16-17-14(20-13)8-18-11-6-5-10(15)7-12(11)19-9(2)3/h5-7,9H,4,8H2,1-3H3.
What are the key properties of 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole?
2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole has a molecular weight of 280.30 g/mol, XLogP of 3.14, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(4-fluoro-2-propan-2-yloxyphenoxy)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 91652636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).