N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide

C19H20ClN3O2 — CID 68959534

IUPACN-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide
SMILESCCc1cccc(C(=O)NN2C(c3ccc(Cl)cc3)=NOC2(C)C)c1
InChIInChI=1S/C19H20ClN3O2/c1-4-13-6-5-7-15(12-13)18(24)21-23-17(22-25-19(23,2)3)14-8-10-16(20)11-9-14/h5-12H,4H2,1-3H3,(H,21,24)
InChIKeyQFEXDXMSAUEPMY-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.98
Rot. Bonds4

About N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide

N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide (PubChem CID 68959534) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide
PubChem CID68959534
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide
SMILESCCc1cccc(C(=O)NN2C(c3ccc(Cl)cc3)=NOC2(C)C)c1
InChIInChI=1S/C19H20ClN3O2/c1-4-13-6-5-7-15(12-13)18(24)21-23-17(22-25-19(23,2)3)14-8-10-16(20)11-9-14/h5-12H,4H2,1-3H3,(H,21,24)
InChIKeyQFEXDXMSAUEPMY-UHFFFAOYSA-N
XLogP3.98
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide?
The IUPAC name of N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide (CID 68959534) is N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide.
What is the SMILES notation for N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide?
The canonical SMILES for N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide is CCc1cccc(C(=O)NN2C(c3ccc(Cl)cc3)=NOC2(C)C)c1.
What is the InChIKey of N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide?
The InChIKey is QFEXDXMSAUEPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c1-4-13-6-5-7-15(12-13)18(24)21-23-17(22-25-19(23,2)3)14-8-10-16(20)11-9-14/h5-12H,4H2,1-3H3,(H,21,24).
What are the key properties of N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide?
N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide has a molecular weight of 357.84 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)-5,5-dimethyl-1,2,4-oxadiazol-4-yl]-3-ethylbenzamide is sourced from PubChem (CID 68959534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).