3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole

C18H17ClN4O — CID 75286517

IUPAC3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccccc1C1CC(c2nc(-c3ccccc3Cl)no2)NN1
InChIInChI=1S/C18H17ClN4O/c1-11-6-2-3-7-12(11)15-10-16(22-21-15)18-20-17(23-24-18)13-8-4-5-9-14(13)19/h2-9,15-16,21-22H,10H2,1H3
InChIKeyNGKSHYIPCQNFQS-UHFFFAOYSA-N
MW340.81 g/mol
LogP3.98
Rot. Bonds3

About 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole

3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 75286517) has the molecular formula C18H17ClN4O and a molecular weight of 340.81 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
PubChem CID75286517
Molecular FormulaC18H17ClN4O
Molecular Weight340.81 g/mol
Exact Mass340.11
IUPAC Name3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
SMILESCc1ccccc1C1CC(c2nc(-c3ccccc3Cl)no2)NN1
InChIInChI=1S/C18H17ClN4O/c1-11-6-2-3-7-12(11)15-10-16(22-21-15)18-20-17(23-24-18)13-8-4-5-9-14(13)19/h2-9,15-16,21-22H,10H2,1H3
InChIKeyNGKSHYIPCQNFQS-UHFFFAOYSA-N
XLogP3.98
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-bromophenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286508
5-[5-(2-methylphenyl)pyrazolidin-3-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 75286524
3-(3,4-dimethoxyphenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 75286521
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carbonitrile
CID 106524414
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
3-(2-methylphenyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 43102485
5-[5-(4-chlorophenyl)pyrazolidin-3-yl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 75975200
5-(2,3-dihydro-1H-indol-2-yl)-3-(2-methylphenyl)-1,2,4-oxadiazole
CID 43095791
3-(3,5-dimethoxyphenyl)-5-[5-(2,5-dimethylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole
CID 74526727
(2S)-2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120833718
N-cyclopropyl-3-(2-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62595048
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 16956788

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole (CID 75286517) is 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole is Cc1ccccc1C1CC(c2nc(-c3ccccc3Cl)no2)NN1.
What is the InChIKey of 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is NGKSHYIPCQNFQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O/c1-11-6-2-3-7-12(11)15-10-16(22-21-15)18-20-17(23-24-18)13-8-4-5-9-14(13)19/h2-9,15-16,21-22H,10H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole?
3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 340.81 g/mol, XLogP of 3.98, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-[5-(2-methylphenyl)pyrazolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 75286517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).