3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole

C13H17ClN4O2 — CID 167747866

IUPAC3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole
SMILESCOCC1(c2nc(Cc3nn(C)cc3Cl)no2)CCC1
InChIInChI=1S/C13H17ClN4O2/c1-18-7-9(14)10(16-18)6-11-15-12(20-17-11)13(8-19-2)4-3-5-13/h7H,3-6,8H2,1-2H3
InChIKeySKSDHDUIUFQMQC-UHFFFAOYSA-N
MW296.76 g/mol
LogP2.12
Rot. Bonds5

About 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole

3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole (PubChem CID 167747866) has the molecular formula C13H17ClN4O2 and a molecular weight of 296.76 g/mol. Its IUPAC name is 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole
PubChem CID167747866
Molecular FormulaC13H17ClN4O2
Molecular Weight296.76 g/mol
Exact Mass296.10
IUPAC Name3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole
SMILESCOCC1(c2nc(Cc3nn(C)cc3Cl)no2)CCC1
InChIInChI=1S/C13H17ClN4O2/c1-18-7-9(14)10(16-18)6-11-15-12(20-17-11)13(8-19-2)4-3-5-13/h7H,3-6,8H2,1-2H3
InChIKeySKSDHDUIUFQMQC-UHFFFAOYSA-N
XLogP2.12
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.76
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

CID 137988234
CID 137988234
CID 137988236
CID 137988236
CID 137988248
CID 137988248
CID 167765912
CID 167765912

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole (CID 167747866) is 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole is COCC1(c2nc(Cc3nn(C)cc3Cl)no2)CCC1.
What is the InChIKey of 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole?
The InChIKey is SKSDHDUIUFQMQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN4O2/c1-18-7-9(14)10(16-18)6-11-15-12(20-17-11)13(8-19-2)4-3-5-13/h7H,3-6,8H2,1-2H3.
What are the key properties of 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole?
3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole has a molecular weight of 296.76 g/mol, XLogP of 2.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-1-methylpyrazol-3-yl)methyl]-5-[1-(methoxymethyl)cyclobutyl]-1,2,4-oxadiazole is sourced from PubChem (CID 167747866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).