5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine

C11H12ClN3O2 — CID 91685818

IUPAC5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(OCc2nnc(N)o2)c(Cl)c1
InChIInChI=1S/C11H12ClN3O2/c1-2-7-3-4-9(8(12)5-7)16-6-10-14-15-11(13)17-10/h3-5H,2,6H2,1H3,(H2,13,15)
InChIKeyVPFQBVSGVIRNSV-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.45
Rot. Bonds4

About 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine

5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 91685818) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID91685818
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCc1ccc(OCc2nnc(N)o2)c(Cl)c1
InChIInChI=1S/C11H12ClN3O2/c1-2-7-3-4-9(8(12)5-7)16-6-10-14-15-11(13)17-10/h3-5H,2,6H2,1H3,(H2,13,15)
InChIKeyVPFQBVSGVIRNSV-UHFFFAOYSA-N
XLogP2.45
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-chloro-4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanone
CID 113389828
5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 45496453
5-[(2-chloro-4,6-dimethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine
CID 91675568
5-[3-chloro-4-[(4-fluorophenyl)methoxy]phenyl]-1,3,4-oxadiazol-2-amine
CID 91681973
5-[3-[(3,4-dichlorophenyl)methoxy]-4-methoxyphenyl]-1,3,4-oxadiazol-2-amine
CID 91682846
2-(2-chloroethyl)-5-[(2,4-dichlorophenoxy)methyl]-1,3,4-oxadiazole
CID 39442821
4-(2-chloro-4-ethylphenoxy)aniline
CID 22413866
tert-butyl-(2-chloro-4-ethylphenoxy)-dimethylsilane
CID 91180185
[4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-methoxyphenyl]methanol
CID 28782963
3-chloro-4-[(4-ethylphenyl)methoxy]-N'-hydroxybenzenecarboximidamide
CID 76929913
2-chloro-4-ethyl-1-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 138473747
2-(chloromethyl)-5-[(2-chloro-5-methylphenoxy)methyl]-1,3,4-oxadiazole
CID 39371989

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine (CID 91685818) is 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine is CCc1ccc(OCc2nnc(N)o2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VPFQBVSGVIRNSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-2-7-3-4-9(8(12)5-7)16-6-10-14-15-11(13)17-10/h3-5H,2,6H2,1H3,(H2,13,15).
What are the key properties of 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine?
5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 253.69 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-ethylphenoxy)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 91685818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).