N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide

C18H17N3O2 — CID 19244494

IUPACN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
SMILESCc1ccc(C)c(-c2nonc2NC(=O)c2ccccc2C)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-13(3)15(10-11)16-17(21-23-20-16)19-18(22)14-7-5-4-6-12(14)2/h4-10H,1-3H3,(H,19,21,22)
InChIKeyDDEUNFSPSFCFNH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.91
Rot. Bonds3

About N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide

N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide (PubChem CID 19244494) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
PubChem CID19244494
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide
SMILESCc1ccc(C)c(-c2nonc2NC(=O)c2ccccc2C)c1
InChIInChI=1S/C18H17N3O2/c1-11-8-9-13(3)15(10-11)16-17(21-23-20-16)19-18(22)14-7-5-4-6-12(14)2/h4-10H,1-3H3,(H,19,21,22)
InChIKeyDDEUNFSPSFCFNH-UHFFFAOYSA-N
XLogP3.91
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide (CID 19244494) is N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide is Cc1ccc(C)c(-c2nonc2NC(=O)c2ccccc2C)c1.
What is the InChIKey of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide?
The InChIKey is DDEUNFSPSFCFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-11-8-9-13(3)15(10-11)16-17(21-23-20-16)19-18(22)14-7-5-4-6-12(14)2/h4-10H,1-3H3,(H,19,21,22).
What are the key properties of N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide?
N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide has a molecular weight of 307.35 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,5-dimethylphenyl)-1,2,5-oxadiazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 19244494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).