N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

C19H25N3O3 — CID 46531672

IUPACN-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)NC2CCCC(C)C2C)no1
InChIInChI=1S/C19H25N3O3/c1-12-7-6-9-16(13(12)2)21-19(23)15-8-4-5-10-17(15)24-11-18-20-14(3)25-22-18/h4-5,8,10,12-13,16H,6-7,9,11H2,1-3H3,(H,21,23)
InChIKeyNFDMVRKTDNHNEK-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.51
Rot. Bonds5

About N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide

N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (PubChem CID 46531672) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
PubChem CID46531672
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide
SMILESCc1nc(COc2ccccc2C(=O)NC2CCCC(C)C2C)no1
InChIInChI=1S/C19H25N3O3/c1-12-7-6-9-16(13(12)2)21-19(23)15-8-4-5-10-17(15)24-11-18-20-14(3)25-22-18/h4-5,8,10,12-13,16H,6-7,9,11H2,1-3H3,(H,21,23)
InChIKeyNFDMVRKTDNHNEK-UHFFFAOYSA-N
XLogP3.51
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The IUPAC name of N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide (CID 46531672) is N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide.
What is the SMILES notation for N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The canonical SMILES for N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is Cc1nc(COc2ccccc2C(=O)NC2CCCC(C)C2C)no1.
What is the InChIKey of N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
The InChIKey is NFDMVRKTDNHNEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-12-7-6-9-16(13(12)2)21-19(23)15-8-4-5-10-17(15)24-11-18-20-14(3)25-22-18/h4-5,8,10,12-13,16H,6-7,9,11H2,1-3H3,(H,21,23).
What are the key properties of N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide?
N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide has a molecular weight of 343.43 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclohexyl)-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzamide is sourced from PubChem (CID 46531672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).