N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

C18H23N3O4S — CID 1151511

IUPACN-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C18H23N3O4S/c1-23-14-7-9-15(10-8-14)24-11-17-20-21-18(25-17)26-12-16(22)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyMIFMMBNGSVXHMZ-UHFFFAOYSA-N
MW377.47 g/mol
LogP3.20
Rot. Bonds8

About N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide

N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (PubChem CID 1151511) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
PubChem CID1151511
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
SMILESCOc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)o2)cc1
InChIInChI=1S/C18H23N3O4S/c1-23-14-7-9-15(10-8-14)24-11-17-20-21-18(25-17)26-12-16(22)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,22)
InChIKeyMIFMMBNGSVXHMZ-UHFFFAOYSA-N
XLogP3.20
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The IUPAC name of N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide (CID 1151511) is N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is COc1ccc(OCc2nnc(SCC(=O)NC3CCCCC3)o2)cc1.
What is the InChIKey of N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
The InChIKey is MIFMMBNGSVXHMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-23-14-7-9-15(10-8-14)24-11-17-20-21-18(25-17)26-12-16(22)19-13-5-3-2-4-6-13/h7-10,13H,2-6,11-12H2,1H3,(H,19,22).
What are the key properties of N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide?
N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide has a molecular weight of 377.47 g/mol, XLogP of 3.20, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[[5-[(4-methoxyphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide is sourced from PubChem (CID 1151511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).