[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine

C11H11Cl2N3O2 — CID 60889820

IUPAC[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
SMILESCc1nnc(COc2c(Cl)cc(Cl)cc2CN)o1
InChIInChI=1S/C11H11Cl2N3O2/c1-6-15-16-10(18-6)5-17-11-7(4-14)2-8(12)3-9(11)13/h2-3H,4-5,14H2,1H3
InChIKeyPVIYEXOMLWSZRM-UHFFFAOYSA-N
MW288.13 g/mol
LogP2.72
Rot. Bonds4

About [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine

[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine (PubChem CID 60889820) has the molecular formula C11H11Cl2N3O2 and a molecular weight of 288.13 g/mol. Its IUPAC name is [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine.

Molecular Properties

Compound Name[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
PubChem CID60889820
Molecular FormulaC11H11Cl2N3O2
Molecular Weight288.13 g/mol
Exact Mass287.02
IUPAC Name[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
SMILESCc1nnc(COc2c(Cl)cc(Cl)cc2CN)o1
InChIInChI=1S/C11H11Cl2N3O2/c1-6-15-16-10(18-6)5-17-11-7(4-14)2-8(12)3-9(11)13/h2-3H,4-5,14H2,1H3
InChIKeyPVIYEXOMLWSZRM-UHFFFAOYSA-N
XLogP2.72
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.13
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]ethanamine
CID 54930553
[3,5-dimethoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine
CID 60887910
[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanol
CID 28898150
N-[[3-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methyl]ethanamine
CID 112609309
1-[3-chloro-5-methoxy-4-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60878921
[3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]phenyl]methanamine
CID 107305827
1-[5-chloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]-N-methylmethanamine
CID 60883695
[3,5-dichloro-2-[(2-ethyl-1,3-thiazol-4-yl)methoxy]phenyl]methanamine
CID 61484577
2-[(2,6-dimethylphenoxy)methyl]-5-methyl-1,3,4-oxadiazole
CID 78906446
(3,5-dichloro-2-octoxyphenyl)methanamine
CID 43515616
[3,5-dichloro-2-[(1-ethylpyrazol-4-yl)methoxy]phenyl]methanamine
CID 62126683
[3,5-dichloro-2-[(3-chloro-4-fluorophenyl)methoxy]phenyl]methanamine
CID 103037818

Frequently Asked Questions

What is the IUPAC name of [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The IUPAC name of [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine (CID 60889820) is [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine.
What is the SMILES notation for [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The canonical SMILES for [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine is Cc1nnc(COc2c(Cl)cc(Cl)cc2CN)o1.
What is the InChIKey of [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
The InChIKey is PVIYEXOMLWSZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N3O2/c1-6-15-16-10(18-6)5-17-11-7(4-14)2-8(12)3-9(11)13/h2-3H,4-5,14H2,1H3.
What are the key properties of [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine?
[3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine has a molecular weight of 288.13 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-dichloro-2-[(5-methyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]methanamine is sourced from PubChem (CID 60889820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).