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

C10H10ClN3O2 — CID 82129884

IUPAC[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOc1ccc(-c2nnc(CN)o2)cc1Cl
InChIInChI=1S/C10H10ClN3O2/c1-15-8-3-2-6(4-7(8)11)10-14-13-9(5-12)16-10/h2-4H,5,12H2,1H3
InChIKeyKVSAMTOLCYTCQN-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.86
Rot. Bonds3

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

[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 82129884) has the molecular formula C10H10ClN3O2 and a molecular weight of 239.66 g/mol. Its IUPAC name is [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID82129884
Molecular FormulaC10H10ClN3O2
Molecular Weight239.66 g/mol
Exact Mass239.05
IUPAC Name[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCOc1ccc(-c2nnc(CN)o2)cc1Cl
InChIInChI=1S/C10H10ClN3O2/c1-15-8-3-2-6(4-7(8)11)10-14-13-9(5-12)16-10/h2-4H,5,12H2,1H3
InChIKeyKVSAMTOLCYTCQN-UHFFFAOYSA-N
XLogP1.86
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine with MolForge

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Related Compounds

2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 82131894
2,5-bis(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazole
CID 95909464
2-[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]acetic acid
CID 82134188
[5-(3-tert-butyl-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82133053
[5-(2,5-dichloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 96669361
[5-(2,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 55034671
[5-(5-ethyl-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 82475517
[5-(2,3,4-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070228
2-(chloromethyl)-5-(4-fluoro-3-methoxyphenyl)-1,3,4-oxadiazole
CID 81283796
2-[4-(3-chloro-4-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 82298298
4-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 39400194
2-methoxy-4-(5-propyl-1,3,4-oxadiazol-2-yl)aniline
CID 104783442

Frequently Asked Questions

What is the IUPAC name of [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 82129884) is [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine is COc1ccc(-c2nnc(CN)o2)cc1Cl.
What is the InChIKey of [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is KVSAMTOLCYTCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O2/c1-15-8-3-2-6(4-7(8)11)10-14-13-9(5-12)16-10/h2-4H,5,12H2,1H3.
What are the key properties of [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 239.66 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chloro-4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 82129884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).