5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole

C16H17ClN4O2 — CID 136551887

IUPAC5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESCC(C)(C)n1cc(COc2nc(-c3ccccc3Cl)no2)cn1
InChIInChI=1S/C16H17ClN4O2/c1-16(2,3)21-9-11(8-18-21)10-22-15-19-14(20-23-15)12-6-4-5-7-13(12)17/h4-9H,10H2,1-3H3
InChIKeyKGPOMAFPKDBKBX-UHFFFAOYSA-N
MW332.79 g/mol
LogP3.92
Rot. Bonds4

About 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole

5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole (PubChem CID 136551887) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole
PubChem CID136551887
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC Name5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole
SMILESCC(C)(C)n1cc(COc2nc(-c3ccccc3Cl)no2)cn1
InChIInChI=1S/C16H17ClN4O2/c1-16(2,3)21-9-11(8-18-21)10-22-15-19-14(20-23-15)12-6-4-5-7-13(12)17/h4-9H,10H2,1-3H3
InChIKeyKGPOMAFPKDBKBX-UHFFFAOYSA-N
XLogP3.92
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-chlorophenyl)-5-[(3-methoxy-4-methylsulfonylphenyl)methoxy]-1,2,4-oxadiazole
CID 99806573
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3-(2-chlorophenyl)-5-(5-pyrazol-1-ylpentoxy)-1,2,4-oxadiazole
CID 56527895
3-(2-chlorophenyl)-5-[(2-methyl-3-nitrophenyl)methoxy]-1,2,4-oxadiazole
CID 60619321
3-(2-chlorophenyl)-5-[[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]methoxy]-1,2,4-oxadiazole
CID 60619386
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 55201059
2-(3-bromophenyl)-5-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxymethyl]-1,3,4-oxadiazole
CID 52849087
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 97058177
(1S)-1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565281
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 62099258
3-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-1-amine
CID 62098241
2-[[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]oxy]-1-[4-(thiophen-3-ylmethyl)piperazin-1-yl]ethanone
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Frequently Asked Questions

What is the IUPAC name of 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole (CID 136551887) is 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole is CC(C)(C)n1cc(COc2nc(-c3ccccc3Cl)no2)cn1.
What is the InChIKey of 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole?
The InChIKey is KGPOMAFPKDBKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c1-16(2,3)21-9-11(8-18-21)10-22-15-19-14(20-23-15)12-6-4-5-7-13(12)17/h4-9H,10H2,1-3H3.
What are the key properties of 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole?
5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole has a molecular weight of 332.79 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-tert-butylpyrazol-4-yl)methoxy]-3-(2-chlorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136551887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).