5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole

C18H12ClN3O2 — CID 2190285

IUPAC5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H12ClN3O2/c1-11-15(16(21-23-11)13-9-5-6-10-14(13)19)18-20-17(22-24-18)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyWAMKRZBYPLIMCV-UHFFFAOYSA-N
MW337.77 g/mol
LogP5.02
Rot. Bonds3

About 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole

5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole (PubChem CID 2190285) has the molecular formula C18H12ClN3O2 and a molecular weight of 337.77 g/mol. Its IUPAC name is 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
PubChem CID2190285
Molecular FormulaC18H12ClN3O2
Molecular Weight337.77 g/mol
Exact Mass337.06
IUPAC Name5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole
SMILESCc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccc2)no1
InChIInChI=1S/C18H12ClN3O2/c1-11-15(16(21-23-11)13-9-5-6-10-14(13)19)18-20-17(22-24-18)12-7-3-2-4-8-12/h2-10H,1H3
InChIKeyWAMKRZBYPLIMCV-UHFFFAOYSA-N
XLogP5.02
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.77
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-Dimethylisoxazol-4-yl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 2742602
5-(3,5-Dimethylisoxazol-4-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742648
3-(2-chlorophenyl)-N-(4,6-dimethyl-2-pyridinyl)-5-methyl-4-isoxazolecarboxamide
CID 741178
3-(2-chlorophenyl)-5-methyl-N-(5-methyl-1,2-oxazol-3-yl)-1,2-oxazole-4-carboxamide
CID 654032
2-{5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-1,2,4-oxadiazol-3-yl}pyridine
CID 666253
5-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 878335
3-(2-chlorophenyl)-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-1,2-oxazole-4-carboxamide
CID 1259131
3-(2-chlorophenyl)-N-cyclohexyl-5-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-4-isoxazolecarboxamide
CID 2236064
3-(2-chlorophenyl)-5-methyl-N-{[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl}-N-(propan-2-yl)-1,2-oxazole-4-carboxamide
CID 5308737
5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-(1-phenylpropyl)-1,2,4-oxadiazol-3-amine
CID 44526872
N-[(2-methylphenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526873
N-[(2-chlorophenyl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 44526877

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The IUPAC name of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole (CID 2190285) is 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole is Cc1onc(-c2ccccc2Cl)c1-c1nc(-c2ccccc2)no1.
What is the InChIKey of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
The InChIKey is WAMKRZBYPLIMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O2/c1-11-15(16(21-23-11)13-9-5-6-10-14(13)19)18-20-17(22-24-18)12-7-3-2-4-8-12/h2-10H,1H3.
What are the key properties of 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole?
5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole has a molecular weight of 337.77 g/mol, XLogP of 5.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-3-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 2190285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).