(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol

C18H20N4O3 — CID 51902892

IUPAC(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCOc1ccc(Cc2noc(-c3ccc(N[C@@H](C)CO)nc3)n2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(11-23)20-16-8-5-14(10-19-16)18-21-17(22-25-18)9-13-3-6-15(24-2)7-4-13/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyOYTUMWSOHMJPAP-LBPRGKRZSA-N
MW340.38 g/mol
LogP2.52
Rot. Bonds7

About (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol

(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 51902892) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
PubChem CID51902892
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCOc1ccc(Cc2noc(-c3ccc(N[C@@H](C)CO)nc3)n2)cc1
InChIInChI=1S/C18H20N4O3/c1-12(11-23)20-16-8-5-14(10-19-16)18-21-17(22-25-18)9-13-3-6-15(24-2)7-4-13/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,20)/t12-/m0/s1
InChIKeyOYTUMWSOHMJPAP-LBPRGKRZSA-N
XLogP2.52
TPSA93.30 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]aniline
CID 61375130
2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 45217148
5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-(1-thiophen-3-ylpropan-2-yl)pyridin-2-amine
CID 45242419
5-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]-N-[(2R)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 26329906
3-[(4-methoxyphenyl)methyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 4691489
[4-[5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]phenyl]methanol
CID 56885878
(2R)-2-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 51909704
methyl 3-[[5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanoate
CID 29088634
3-[(4-methoxyphenyl)methyl]-5-methyl-1,2,4-oxadiazole
CID 12762723
5-[3-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-[2-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 28766344
5-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 28809507
3-(bromomethyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 130536091

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol (CID 51902892) is (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol is COc1ccc(Cc2noc(-c3ccc(N[C@@H](C)CO)nc3)n2)cc1.
What is the InChIKey of (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is OYTUMWSOHMJPAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-12(11-23)20-16-8-5-14(10-19-16)18-21-17(22-25-18)9-13-3-6-15(24-2)7-4-13/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,20)/t12-/m0/s1.
What are the key properties of (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol?
(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 340.38 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 51902892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).