5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole

C14H14ClN5O2 — CID 155956495

IUPAC5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)nn1C
InChIInChI=1S/C14H14ClN5O2/c1-8-6-11(18-20(8)3)13-17-14(22-19-13)9(2)21-10-4-5-12(15)16-7-10/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyNLYXTQFLNLEVMO-VIFPVBQESA-N
MW319.75 g/mol
LogP2.97
Rot. Bonds4

About 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole

5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 155956495) has the molecular formula C14H14ClN5O2 and a molecular weight of 319.75 g/mol. Its IUPAC name is 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID155956495
Molecular FormulaC14H14ClN5O2
Molecular Weight319.75 g/mol
Exact Mass319.08
IUPAC Name5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)nn1C
InChIInChI=1S/C14H14ClN5O2/c1-8-6-11(18-20(8)3)13-17-14(22-19-13)9(2)21-10-4-5-12(15)16-7-10/h4-7,9H,1-3H3/t9-/m0/s1
InChIKeyNLYXTQFLNLEVMO-VIFPVBQESA-N
XLogP2.97
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.75
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 155948157
5-[(1R)-1-(3-chlorophenoxy)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 895311
3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole
CID 167960781
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
3-(4-chlorophenyl)-5-[1-(3,4-dimethylphenoxy)ethyl]-1,2,4-oxadiazole
CID 19658029
5-[(1R)-1-(4-bromophenoxy)ethyl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1294361
5-[1-(3,4-dichlorophenoxy)ethyl]-3-methyl-1,2,4-oxadiazole
CID 134040196
3-(4-chlorophenyl)-5-[1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 3159112
5-[(1S)-1-(4-methoxyphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 925226
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
1-[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl 6-chloropyridine-3-carboxylate
CID 55546930
5-[(1R)-1-(4-methylphenoxy)ethyl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 7233187

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole (CID 155956495) is 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole is Cc1cc(-c2noc([C@H](C)Oc3ccc(Cl)nc3)n2)nn1C.
What is the InChIKey of 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is NLYXTQFLNLEVMO-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14ClN5O2/c1-8-6-11(18-20(8)3)13-17-14(22-19-13)9(2)21-10-4-5-12(15)16-7-10/h4-7,9H,1-3H3/t9-/m0/s1.
What are the key properties of 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole?
5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 319.75 g/mol, XLogP of 2.97, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-[(6-chloro-3-pyridinyl)oxy]ethyl]-3-(1,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 155956495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).