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

C14H11ClN4O — CID 103442621

IUPAC[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESNCc1cccc(-c2nc(-c3ncccc3Cl)no2)c1
InChIInChI=1S/C14H11ClN4O/c15-11-5-2-6-17-12(11)13-18-14(20-19-13)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2
InChIKeyTUROVVVMZXNVOV-UHFFFAOYSA-N
MW286.72 g/mol
LogP2.91
Rot. Bonds3

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

[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (PubChem CID 103442621) has the molecular formula C14H11ClN4O and a molecular weight of 286.72 g/mol. Its IUPAC name is [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.

Molecular Properties

Compound Name[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
PubChem CID103442621
Molecular FormulaC14H11ClN4O
Molecular Weight286.72 g/mol
Exact Mass286.06
IUPAC Name[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
SMILESNCc1cccc(-c2nc(-c3ncccc3Cl)no2)c1
InChIInChI=1S/C14H11ClN4O/c15-11-5-2-6-17-12(11)13-18-14(20-19-13)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2
InChIKeyTUROVVVMZXNVOV-UHFFFAOYSA-N
XLogP2.91
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.72
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
CID 60894269
5-[3-(aminomethyl)phenyl]-1,2,4-oxadiazol-3-amine
CID 65417709
4-chloro-3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 103442570
[3-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 60893719
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-3-fluoroaniline
CID 103442788
4-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1,3-thiazol-2-amine
CID 103442626
[3-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine
CID 104788905
5-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]-1H-1,2,4-triazol-3-amine
CID 103442682
5-chloro-2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136847807
[3-(7-chloro-1,3-benzoxazol-2-yl)phenyl]methanamine
CID 81433640
[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]methanamine
CID 22754802
2-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)phenyl]ethanamine
CID 63793365

Frequently Asked Questions

What is the IUPAC name of [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The IUPAC name of [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine (CID 103442621) is [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine.
What is the SMILES notation for [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The canonical SMILES for [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is NCc1cccc(-c2nc(-c3ncccc3Cl)no2)c1.
What is the InChIKey of [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
The InChIKey is TUROVVVMZXNVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4O/c15-11-5-2-6-17-12(11)13-18-14(20-19-13)10-4-1-3-9(7-10)8-16/h1-7H,8,16H2.
What are the key properties of [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine?
[3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine has a molecular weight of 286.72 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenyl]methanamine is sourced from PubChem (CID 103442621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).