5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine

C11H12ClN3O2 — CID 3061070

IUPAC5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(OC(C)c2nnc(N)o2)ccc1Cl
InChIInChI=1S/C11H12ClN3O2/c1-6-5-8(3-4-9(6)12)16-7(2)10-14-15-11(13)17-10/h3-5,7H,1-2H3,(H2,13,15)
InChIKeyPPMZGXZAGGZWRE-UHFFFAOYSA-N
MW253.69 g/mol
LogP2.75
Rot. Bonds3

About 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine

5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 3061070) has the molecular formula C11H12ClN3O2 and a molecular weight of 253.69 g/mol. Its IUPAC name is 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID3061070
Molecular FormulaC11H12ClN3O2
Molecular Weight253.69 g/mol
Exact Mass253.06
IUPAC Name5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(OC(C)c2nnc(N)o2)ccc1Cl
InChIInChI=1S/C11H12ClN3O2/c1-6-5-8(3-4-9(6)12)16-7(2)10-14-15-11(13)17-10/h3-5,7H,1-2H3,(H2,13,15)
InChIKeyPPMZGXZAGGZWRE-UHFFFAOYSA-N
XLogP2.75
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[1-(4-chloro-3-methylphenoxy)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 15090951
5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole
CID 134040196
(4-chloro-3-methylphenoxy)-trimethylsilane
CID 13432543
dimethyl 2-(4-chloro-3-methylphenoxy)propanedioate
CID 94697757
2-[(1S)-1-(3-chloro-4-fluorophenoxy)ethyl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 7699859
5-[1-(4-chloro-3-methylphenoxy)ethyl]-3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazole
CID 120960391
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029
4-[5-[(1S)-1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-1,2,5-oxadiazol-3-amine
CID 673198
1-chloro-4-methoxy-2-methylbenzene;ethane
CID 143988962
2-(4-chloro-3-methylphenoxy)-N-propan-2-ylpentan-1-amine
CID 83043937
2-(4-chloro-3-methylphenoxy)-N-(3,4-dichlorophenyl)propanamide
CID 53265973
2-chloro-5-propan-2-yloxyaniline
CID 39237829

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine (CID 3061070) is 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine is Cc1cc(OC(C)c2nnc(N)o2)ccc1Cl.
What is the InChIKey of 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is PPMZGXZAGGZWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3O2/c1-6-5-8(3-4-9(6)12)16-7(2)10-14-15-11(13)17-10/h3-5,7H,1-2H3,(H2,13,15).
What are the key properties of 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine?
5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 253.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chloro-3-methylphenoxy)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 3061070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).