1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide

C29H29N3O5 — CID 30334358

IUPAC1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide
SMILESCOc1cc(-c2noc(-c3ccccc3NC(=O)C3(c4ccccc4)CCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C29H29N3O5/c1-34-23-17-19(18-24(35-2)25(23)36-3)26-31-27(37-32-26)21-13-7-8-14-22(21)30-28(33)29(15-9-10-16-29)20-11-5-4-6-12-20/h4-8,11-14,17-18H,9-10,15-16H2,1-3H3,(H,30,33)
InChIKeyMWSDMZYMABWUAO-UHFFFAOYSA-N
MW499.57 g/mol
LogP5.88
Rot. Bonds8

About 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide

1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide (PubChem CID 30334358) has the molecular formula C29H29N3O5 and a molecular weight of 499.57 g/mol. Its IUPAC name is 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide
PubChem CID30334358
Molecular FormulaC29H29N3O5
Molecular Weight499.57 g/mol
Exact Mass499.21
IUPAC Name1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide
SMILESCOc1cc(-c2noc(-c3ccccc3NC(=O)C3(c4ccccc4)CCCC3)n2)cc(OC)c1OC
InChIInChI=1S/C29H29N3O5/c1-34-23-17-19(18-24(35-2)25(23)36-3)26-31-27(37-32-26)21-13-7-8-14-22(21)30-28(33)29(15-9-10-16-29)20-11-5-4-6-12-20/h4-8,11-14,17-18H,9-10,15-16H2,1-3H3,(H,30,33)
InChIKeyMWSDMZYMABWUAO-UHFFFAOYSA-N
XLogP5.88
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.57
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide (CID 30334358) is 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide is COc1cc(-c2noc(-c3ccccc3NC(=O)C3(c4ccccc4)CCCC3)n2)cc(OC)c1OC.
What is the InChIKey of 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide?
The InChIKey is MWSDMZYMABWUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O5/c1-34-23-17-19(18-24(35-2)25(23)36-3)26-31-27(37-32-26)21-13-7-8-14-22(21)30-28(33)29(15-9-10-16-29)20-11-5-4-6-12-20/h4-8,11-14,17-18H,9-10,15-16H2,1-3H3,(H,30,33).
What are the key properties of 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide?
1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide has a molecular weight of 499.57 g/mol, XLogP of 5.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[2-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 30334358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).