5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine

C19H20N4O2 — CID 45216823

IUPAC5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCc1ccccc1-c1noc(-c2ccc(NC3CCOCC3)nc2)n1
InChIInChI=1S/C19H20N4O2/c1-13-4-2-3-5-16(13)18-22-19(25-23-18)14-6-7-17(20-12-14)21-15-8-10-24-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21)
InChIKeySMLRDCNQEZAHPB-UHFFFAOYSA-N
MW336.40 g/mol
LogP3.70
Rot. Bonds4

About 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine

5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine (PubChem CID 45216823) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine
PubChem CID45216823
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine
SMILESCc1ccccc1-c1noc(-c2ccc(NC3CCOCC3)nc2)n1
InChIInChI=1S/C19H20N4O2/c1-13-4-2-3-5-16(13)18-22-19(25-23-18)14-6-7-17(20-12-14)21-15-8-10-24-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21)
InChIKeySMLRDCNQEZAHPB-UHFFFAOYSA-N
XLogP3.70
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 51901909
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62595048
N-cyclohexyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 119027868
(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 95895530
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 798302
5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 25279341
N-[(3S)-oxan-3-yl]-5-[3-(3-phenylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 95895754
5-[6-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 51902975
5-(4-methoxyphenyl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 5152913
N-(2-methoxyethyl)-N-methyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 45208311
2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 2480918
5-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine
CID 95730203

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine?
The IUPAC name of 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine (CID 45216823) is 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine.
What is the SMILES notation for 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine?
The canonical SMILES for 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine is Cc1ccccc1-c1noc(-c2ccc(NC3CCOCC3)nc2)n1.
What is the InChIKey of 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine?
The InChIKey is SMLRDCNQEZAHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-13-4-2-3-5-16(13)18-22-19(25-23-18)14-6-7-17(20-12-14)21-15-8-10-24-11-9-15/h2-7,12,15H,8-11H2,1H3,(H,20,21).
What are the key properties of 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine?
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine has a molecular weight of 336.40 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-(oxan-4-yl)pyridin-2-amine is sourced from PubChem (CID 45216823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).