5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

C10H11ClN4O2 — CID 97434198

IUPAC5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCn1cc(Cl)c(-c2nc([C@@H]3CCOC3)no2)n1
InChIInChI=1S/C10H11ClN4O2/c1-15-4-7(11)8(13-15)10-12-9(14-17-10)6-2-3-16-5-6/h4,6H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyZWTLHFYOWBZBKL-ZCFIWIBFSA-N
MW254.68 g/mol
LogP1.63
Rot. Bonds2

About 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole

5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (PubChem CID 97434198) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
PubChem CID97434198
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole
SMILESCn1cc(Cl)c(-c2nc([C@@H]3CCOC3)no2)n1
InChIInChI=1S/C10H11ClN4O2/c1-15-4-7(11)8(13-15)10-12-9(14-17-10)6-2-3-16-5-6/h4,6H,2-3,5H2,1H3/t6-/m1/s1
InChIKeyZWTLHFYOWBZBKL-ZCFIWIBFSA-N
XLogP1.63
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-chloro-1-methylpyrazol-5-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72854814
5-(4-chloro-1,3-dimethylpyrazol-5-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97453309
5-(2,6-dichlorophenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72866103
5-(2-chloro-6-methylphenyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72877745
5-(6-chloro-1-methylindol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72905118
5-(6-chloro-1-methylindol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97446011
5-(1-methyl-5-phenylpyrrol-2-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72931350
5-(1-methyl-5-phenylpyrrol-2-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97455192
3-(oxolan-3-yl)-5-(2,4,5-trimethylphenyl)-1,2,4-oxadiazole
CID 72939607
5-(furan-3-yl)-3-[(3R)-oxolan-3-yl]-1,2,4-oxadiazole
CID 97018511
3-[(3S)-oxolan-3-yl]-5-(2,4,6-trimethylphenyl)-1,2,4-oxadiazole
CID 97436766
5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(oxolan-3-yl)-1,2,4-oxadiazole
CID 72861127

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole (CID 97434198) is 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is Cn1cc(Cl)c(-c2nc([C@@H]3CCOC3)no2)n1.
What is the InChIKey of 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
The InChIKey is ZWTLHFYOWBZBKL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c1-15-4-7(11)8(13-15)10-12-9(14-17-10)6-2-3-16-5-6/h4,6H,2-3,5H2,1H3/t6-/m1/s1.
What are the key properties of 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole?
5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole has a molecular weight of 254.68 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-1-methylpyrazol-3-yl)-3-[(3S)-oxolan-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 97434198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).