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

C22H25N3O4 — CID 20900792

IUPACN-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)N(Cc3ccco3)C3CCCCC3)n2)cc1
InChIInChI=1S/C22H25N3O4/c1-27-18-11-9-16(10-12-18)22-23-20(29-24-22)14-21(26)25(15-19-8-5-13-28-19)17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14-15H2,1H3
InChIKeyXIDVWHIKXWWBBA-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.24
Rot. Bonds7

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

N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide (PubChem CID 20900792) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
PubChem CID20900792
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC NameN-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide
SMILESCOc1ccc(-c2noc(CC(=O)N(Cc3ccco3)C3CCCCC3)n2)cc1
InChIInChI=1S/C22H25N3O4/c1-27-18-11-9-16(10-12-18)22-23-20(29-24-22)14-21(26)25(15-19-8-5-13-28-19)17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14-15H2,1H3
InChIKeyXIDVWHIKXWWBBA-UHFFFAOYSA-N
XLogP4.24
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The IUPAC name of N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide (CID 20900792) is N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The canonical SMILES for N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide is COc1ccc(-c2noc(CC(=O)N(Cc3ccco3)C3CCCCC3)n2)cc1.
What is the InChIKey of N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
The InChIKey is XIDVWHIKXWWBBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-27-18-11-9-16(10-12-18)22-23-20(29-24-22)14-21(26)25(15-19-8-5-13-28-19)17-6-3-2-4-7-17/h5,8-13,17H,2-4,6-7,14-15H2,1H3.
What are the key properties of N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide?
N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide has a molecular weight of 395.46 g/mol, XLogP of 4.24, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(furan-2-ylmethyl)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]acetamide is sourced from PubChem (CID 20900792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).