5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole

C18H14N4O2 — CID 97122445

IUPAC5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc2ccccc2c1)c1nc(-c2cccnn2)no1
InChIInChI=1S/C18H14N4O2/c1-12(18-20-17(22-24-18)16-7-4-10-19-21-16)23-15-9-8-13-5-2-3-6-14(13)11-15/h2-12H,1H3/t12-/m0/s1
InChIKeyOVHIRRWQNCEDSP-LBPRGKRZSA-N
MW318.34 g/mol
LogP3.82
Rot. Bonds4

About 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole

5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole (PubChem CID 97122445) has the molecular formula C18H14N4O2 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
PubChem CID97122445
Molecular FormulaC18H14N4O2
Molecular Weight318.34 g/mol
Exact Mass318.11
IUPAC Name5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
SMILESC[C@H](Oc1ccc2ccccc2c1)c1nc(-c2cccnn2)no1
InChIInChI=1S/C18H14N4O2/c1-12(18-20-17(22-24-18)16-7-4-10-19-21-16)23-15-9-8-13-5-2-3-6-14(13)11-15/h2-12H,1H3/t12-/m0/s1
InChIKeyOVHIRRWQNCEDSP-LBPRGKRZSA-N
XLogP3.82
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
3-(1-methylimidazol-2-yl)-5-[(1S)-1-naphthalen-2-yloxyethyl]-1,2,4-oxadiazole
CID 167960781
5-[(1R)-1-(3-chlorophenoxy)ethyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 895311
5-[1-(4-methoxyphenoxy)ethyl]-3-phenyl-1,2,4-oxadiazole
CID 2953085
3-(4-methoxyphenyl)-5-(1-phenoxyethyl)-1,2,4-oxadiazole
CID 4312065
5-[1-(4-methylphenoxy)ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 17383688
5-[1-(3-methylphenoxy)ethyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 6472807
5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72911845
3-(3,4-dimethoxyphenyl)-5-[(1S)-1-(4-methoxyphenoxy)ethyl]-1,2,4-oxadiazole
CID 2203125
5-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97279950
3-(3-methoxyphenyl)-5-[(1R)-1-phenoxyethyl]-1,2,4-oxadiazole
CID 7356906
N-[4-[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethoxy]phenyl]acetamide
CID 95788948

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole (CID 97122445) is 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole is C[C@H](Oc1ccc2ccccc2c1)c1nc(-c2cccnn2)no1.
What is the InChIKey of 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
The InChIKey is OVHIRRWQNCEDSP-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H14N4O2/c1-12(18-20-17(22-24-18)16-7-4-10-19-21-16)23-15-9-8-13-5-2-3-6-14(13)11-15/h2-12H,1H3/t12-/m0/s1.
What are the key properties of 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole?
5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole has a molecular weight of 318.34 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 97122445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).