N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

C20H27N3O5 — CID 3159537

IUPACN-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O5/c1-25-15-11-13(12-16(26-2)19(15)27-3)20-22-18(28-23-20)10-9-17(24)21-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H,21,24)
InChIKeyFABKGNGTKRGOLO-UHFFFAOYSA-N
MW389.45 g/mol
LogP3.14
Rot. Bonds8

About N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide

N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 3159537) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID3159537
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC NameN-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCOc1cc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C20H27N3O5/c1-25-15-11-13(12-16(26-2)19(15)27-3)20-22-18(28-23-20)10-9-17(24)21-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H,21,24)
InChIKeyFABKGNGTKRGOLO-UHFFFAOYSA-N
XLogP3.14
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide (CID 3159537) is N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is COc1cc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc(OC)c1OC.
What is the InChIKey of N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is FABKGNGTKRGOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-25-15-11-13(12-16(26-2)19(15)27-3)20-22-18(28-23-20)10-9-17(24)21-14-7-5-4-6-8-14/h11-12,14H,4-10H2,1-3H3,(H,21,24).
What are the key properties of N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide?
N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 389.45 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 3159537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).