[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

C12H14ClN3O2 — CID 82487457

IUPAC[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCOc1cc(C)c(-c2nnc(CN)o2)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-3-17-10-4-7(2)8(5-9(10)13)12-16-15-11(6-14)18-12/h4-5H,3,6,14H2,1-2H3
InChIKeyMEWHHNWAUWJLTH-UHFFFAOYSA-N
MW267.72 g/mol
LogP2.56
Rot. Bonds4

About [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine

[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 82487457) has the molecular formula C12H14ClN3O2 and a molecular weight of 267.72 g/mol. Its IUPAC name is [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID82487457
Molecular FormulaC12H14ClN3O2
Molecular Weight267.72 g/mol
Exact Mass267.08
IUPAC Name[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCOc1cc(C)c(-c2nnc(CN)o2)cc1Cl
InChIInChI=1S/C12H14ClN3O2/c1-3-17-10-4-7(2)8(5-9(10)13)12-16-15-11(6-14)18-12/h4-5H,3,6,14H2,1-2H3
InChIKeyMEWHHNWAUWJLTH-UHFFFAOYSA-N
XLogP2.56
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[5-(2,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 96669361
[5-(2,4,5-trimethylphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82471864
5-(5-chloro-4-ethoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 82481596
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1H-imidazol-2-yl]methanamine
CID 82304282
2-(5-chloro-4-ethoxy-2-methylphenyl)pyrimidin-5-amine
CID 82303511
4-(5-chloro-4-ethoxy-2-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 98022071
3-(5-chloro-4-ethoxy-2-methylphenyl)-5-methyl-1H-pyrazol-4-amine
CID 82486859
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82129884
2-(5-bromo-2-ethoxyphenyl)-5-(chloromethyl)-1,3,4-oxadiazole
CID 54852853
1,4-dichloro-2-ethoxy-5-methylbenzene
CID 18335146
5-chloro-4-ethoxy-2-methylphenol
CID 82490779

Frequently Asked Questions

What is the IUPAC name of [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 82487457) is [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine is CCOc1cc(C)c(-c2nnc(CN)o2)cc1Cl.
What is the InChIKey of [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is MEWHHNWAUWJLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O2/c1-3-17-10-4-7(2)8(5-9(10)13)12-16-15-11(6-14)18-12/h4-5H,3,6,14H2,1-2H3.
What are the key properties of [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 267.72 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(5-chloro-4-ethoxy-2-methylphenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 82487457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).