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

C19H25N3O2S — CID 55622314

IUPACN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC2(c3noc(C)n3)CCCCCC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-14-20-18(22-24-14)19(11-5-3-4-6-12-19)21-17(23)16-9-7-15(8-10-16)13-25-2/h7-10H,3-6,11-13H2,1-2H3,(H,21,23)
InChIKeyRQLIQKNFPTZGCN-UHFFFAOYSA-N
MW359.50 g/mol
LogP4.22
Rot. Bonds5

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

N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide (PubChem CID 55622314) has the molecular formula C19H25N3O2S and a molecular weight of 359.50 g/mol. Its IUPAC name is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide.

Molecular Properties

Compound NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
PubChem CID55622314
Molecular FormulaC19H25N3O2S
Molecular Weight359.50 g/mol
Exact Mass359.17
IUPAC NameN-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
SMILESCSCc1ccc(C(=O)NC2(c3noc(C)n3)CCCCCC2)cc1
InChIInChI=1S/C19H25N3O2S/c1-14-20-18(22-24-14)19(11-5-3-4-6-12-19)21-17(23)16-9-7-15(8-10-16)13-25-2/h7-10H,3-6,11-13H2,1-2H3,(H,21,23)
InChIKeyRQLIQKNFPTZGCN-UHFFFAOYSA-N
XLogP4.22
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.50
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-iodo-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]benzamide
CID 55622264
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 86982746
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 55537901
3-methyl-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]furan-2-carboxamide
CID 35781226
3-fluoro-4-methoxy-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]benzamide
CID 31164048
3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 31164348
methyl 6-[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]carbamoyl]pyridine-3-carboxylate
CID 60559915
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[(2-phenylacetyl)amino]propanamide
CID 55538479
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 55622435
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]-4-(2-methyl-4-oxoquinazolin-3-yl)benzamide
CID 31164000
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclopentyl]benzamide
CID 60559986

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide?
The IUPAC name of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide (CID 55622314) is N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide.
What is the SMILES notation for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide?
The canonical SMILES for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide is CSCc1ccc(C(=O)NC2(c3noc(C)n3)CCCCCC2)cc1.
What is the InChIKey of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide?
The InChIKey is RQLIQKNFPTZGCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2S/c1-14-20-18(22-24-14)19(11-5-3-4-6-12-19)21-17(23)16-9-7-15(8-10-16)13-25-2/h7-10H,3-6,11-13H2,1-2H3,(H,21,23).
What are the key properties of N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide?
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide has a molecular weight of 359.50 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide is sourced from PubChem (CID 55622314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).