1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone

C13H13ClN2O3 — CID 113389828

IUPAC1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
SMILESCCc1nnc(COc2ccc(C(C)=O)cc2Cl)o1
InChIInChI=1S/C13H13ClN2O3/c1-3-12-15-16-13(19-12)7-18-11-5-4-9(8(2)17)6-10(11)14/h4-6H,3,7H2,1-2H3
InChIKeyTVNZKUVFMRBVBK-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.07
Rot. Bonds5

About 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone

1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone (PubChem CID 113389828) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
PubChem CID113389828
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
SMILESCCc1nnc(COc2ccc(C(C)=O)cc2Cl)o1
InChIInChI=1S/C13H13ClN2O3/c1-3-12-15-16-13(19-12)7-18-11-5-4-9(8(2)17)6-10(11)14/h4-6H,3,7H2,1-2H3
InChIKeyTVNZKUVFMRBVBK-UHFFFAOYSA-N
XLogP3.07
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-4-[(4-chlorophenyl)methoxy]phenyl]ethanone
CID 65125936
1-(4-acetyl-2-chlorophenoxy)butan-2-one
CID 99578755
2-(4-acetyl-2-chlorophenoxy)acetic acid
CID 13400547
1-(3-chloro-4-octoxyphenyl)ethanone
CID 55223026
1-[3-chloro-4-[(2,3-dichlorophenyl)methoxy]phenyl]ethanone
CID 107306491
1-[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propan-1-one
CID 28782339
3-chloro-4-ethoxybenzoate
CID 6927202
5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
CID 91685818
1-[3-chloro-4-[(2-chloro-5-fluorophenyl)methoxy]phenyl]ethanone
CID 102616154
1-(4-but-2-enoxy-3-chlorophenyl)ethanone
CID 76977275
1-[4-(2-butoxyethoxy)-3-chlorophenyl]ethanone
CID 55132462
2-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-4-methoxybenzoic acid
CID 61269411

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone (CID 113389828) is 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone is CCc1nnc(COc2ccc(C(C)=O)cc2Cl)o1.
What is the InChIKey of 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
The InChIKey is TVNZKUVFMRBVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-3-12-15-16-13(19-12)7-18-11-5-4-9(8(2)17)6-10(11)14/h4-6H,3,7H2,1-2H3.
What are the key properties of 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone?
1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone has a molecular weight of 280.71 g/mol, XLogP of 3.07, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 113389828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).