3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

C18H18ClN5O3 — CID 20931833

IUPAC3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H18ClN5O3/c1-11-15(10-24(22-11)13-6-4-12(19)5-7-13)16-21-18(27-23-16)17(25)20-9-14-3-2-8-26-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,20,25)
InChIKeyVKJGMACPQJCPFG-UHFFFAOYSA-N
MW387.83 g/mol
LogP2.79
Rot. Bonds5

About 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide

3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 20931833) has the molecular formula C18H18ClN5O3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound Name3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID20931833
Molecular FormulaC18H18ClN5O3
Molecular Weight387.83 g/mol
Exact Mass387.11
IUPAC Name3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCC2CCCO2)n1
InChIInChI=1S/C18H18ClN5O3/c1-11-15(10-24(22-11)13-6-4-12(19)5-7-13)16-21-18(27-23-16)17(25)20-9-14-3-2-8-26-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,20,25)
InChIKeyVKJGMACPQJCPFG-UHFFFAOYSA-N
XLogP2.79
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
CID 20931834
3-(4-chlorophenyl)-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide
CID 6472669
3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]-1,2,4-oxadiazole-5-carboxamide
CID 20931848
N-cyclopentyl-3-[1-(4-fluorophenyl)-3-methylpyrazol-4-yl]-1,2,4-oxadiazole-5-carboxamide
CID 20931773
N-cyclopentyl-3-(3-methyl-1-phenylpyrazol-4-yl)-1,2,4-oxadiazole-5-carboxamide
CID 20931695
3-[1-(4-bromophenyl)-3-methylpyrazol-4-yl]-N-(3-methylbutyl)-1,2,4-oxadiazole-5-carboxamide
CID 20931746
3-[2-(4-chlorophenyl)sulfonylethyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95092677
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 94074573
3-[4-methyl-2-(4-methylphenyl)-3,5-dioxo-1,2,4-triazin-6-yl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 94074574
3-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 26414662
3-(4-methyl-3,5-dioxo-2-phenyl-1,2,4-triazin-6-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 93065431
4-(4-chlorophenyl)-1-ethyl-N-[[(2S)-oxolan-2-yl]methyl]pyrrole-2-carboxamide
CID 95096640

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide (CID 20931833) is 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is Cc1nn(-c2ccc(Cl)cc2)cc1-c1noc(C(=O)NCC2CCCO2)n1.
What is the InChIKey of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is VKJGMACPQJCPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3/c1-11-15(10-24(22-11)13-6-4-12(19)5-7-13)16-21-18(27-23-16)17(25)20-9-14-3-2-8-26-14/h4-7,10,14H,2-3,8-9H2,1H3,(H,20,25).
What are the key properties of 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide?
3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 387.83 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-chlorophenyl)-3-methylpyrazol-4-yl]-N-(oxolan-2-ylmethyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 20931833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).