N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

C18H23N3O3S — CID 46276348

IUPACN-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(-c2noc(CSCC(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N3O3S/c1-23-15-9-7-13(8-10-15)18-20-17(24-21-18)12-25-11-16(22)19-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyDOPMAZLGNVCPEA-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.43
Rot. Bonds7

About N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide

N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (PubChem CID 46276348) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
PubChem CID46276348
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
SMILESCOc1ccc(-c2noc(CSCC(=O)NC3CCCCC3)n2)cc1
InChIInChI=1S/C18H23N3O3S/c1-23-15-9-7-13(8-10-15)18-20-17(24-21-18)12-25-11-16(22)19-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyDOPMAZLGNVCPEA-UHFFFAOYSA-N
XLogP3.43
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448
N-cyclopentyl-2-[(4-methoxyphenyl)methylsulfanyl]acetamide
CID 53279549
N-cycloheptyl-3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 46586192
N-cyclohexyl-1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxamide
CID 43930723
N-(3-chloro-4-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912672
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]sulfanyl]acetamide
CID 5067091
N-cyclohexyl-4-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 23605831
N-(5-chloro-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 20912675
N-[1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]acetamide
CID 87014515
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 888719
N-cycloheptyl-2-(4-methoxyphenyl)sulfanylacetamide
CID 7992638

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide (CID 46276348) is N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is COc1ccc(-c2noc(CSCC(=O)NC3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
The InChIKey is DOPMAZLGNVCPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-23-15-9-7-13(8-10-15)18-20-17(24-21-18)12-25-11-16(22)19-14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide?
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide has a molecular weight of 361.47 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide is sourced from PubChem (CID 46276348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).