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

C16H15ClN4O2 — CID 45217148

IUPAC2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C16H15ClN4O2/c1-10(9-22)19-14-6-5-12(8-18-14)16-20-15(21-23-16)11-3-2-4-13(17)7-11/h2-8,10,22H,9H2,1H3,(H,18,19)
InChIKeyDECYCXWKFZRDCH-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.24
Rot. Bonds5

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

2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol (PubChem CID 45217148) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
PubChem CID45217148
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
SMILESCC(CO)Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1
InChIInChI=1S/C16H15ClN4O2/c1-10(9-22)19-14-6-5-12(8-18-14)16-20-15(21-23-16)11-3-2-4-13(17)7-11/h2-8,10,22H,9H2,1H3,(H,18,19)
InChIKeyDECYCXWKFZRDCH-UHFFFAOYSA-N
XLogP3.24
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2S)-1-pyrazin-2-ylpropan-2-yl]pyridin-2-amine
CID 51901188
(2R)-2-[[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propanamide
CID 70707331
(2S)-2-[[5-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol
CID 51902892
5-(3-chlorophenyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 17370674
3-(3-chlorophenyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 102175113
1-butan-2-yl-3-[3-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50777556
(2R)-2-[[5-[3-(2,3-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]-3-methylbutan-1-ol
CID 51909704
(2R)-2-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylamino]propanoic acid
CID 83194547
1-[4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propan-2-ylurea
CID 50778455
4-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N,N-dimethylaniline
CID 50769449
3-(3-chlorophenyl)-5-[6-[3-(methoxymethyl)pyrrolidin-1-yl]-3-pyridinyl]-1,2,4-oxadiazole
CID 45226780
3-(3-chlorophenyl)-5-(4-methylpyrimidin-5-yl)-1,2,4-oxadiazole
CID 99130253

Frequently Asked Questions

What is the IUPAC name of 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol?
The IUPAC name of 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol (CID 45217148) is 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol.
What is the SMILES notation for 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol?
The canonical SMILES for 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol is CC(CO)Nc1ccc(-c2nc(-c3cccc(Cl)c3)no2)cn1.
What is the InChIKey of 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol?
The InChIKey is DECYCXWKFZRDCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-10(9-22)19-14-6-5-12(8-18-14)16-20-15(21-23-16)11-3-2-4-13(17)7-11/h2-8,10,22H,9H2,1H3,(H,18,19).
What are the key properties of 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol?
2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol has a molecular weight of 330.78 g/mol, XLogP of 3.24, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]amino]propan-1-ol is sourced from PubChem (CID 45217148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).