N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide

C27H27N3O4 — CID 83284501

IUPACN-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
SMILESCOc1cc(OC)cc(-c2noc(C(Cc3ccccc3)NC(=O)CCc3ccccc3)n2)c1
InChIInChI=1S/C27H27N3O4/c1-32-22-16-21(17-23(18-22)33-2)26-29-27(34-30-26)24(15-20-11-7-4-8-12-20)28-25(31)14-13-19-9-5-3-6-10-19/h3-12,16-18,24H,13-15H2,1-2H3,(H,28,31)
InChIKeyNVCXZNAXJASUTR-UHFFFAOYSA-N
MW457.53 g/mol
LogP4.79
Rot. Bonds10

About N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide

N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide (PubChem CID 83284501) has the molecular formula C27H27N3O4 and a molecular weight of 457.53 g/mol. Its IUPAC name is N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
PubChem CID83284501
Molecular FormulaC27H27N3O4
Molecular Weight457.53 g/mol
Exact Mass457.20
IUPAC NameN-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
SMILESCOc1cc(OC)cc(-c2noc(C(Cc3ccccc3)NC(=O)CCc3ccccc3)n2)c1
InChIInChI=1S/C27H27N3O4/c1-32-22-16-21(17-23(18-22)33-2)26-29-27(34-30-26)24(15-20-11-7-4-8-12-20)28-25(31)14-13-19-9-5-3-6-10-19/h3-12,16-18,24H,13-15H2,1-2H3,(H,28,31)
InChIKeyNVCXZNAXJASUTR-UHFFFAOYSA-N
XLogP4.79
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide
CID 93117460
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide
CID 42797745
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 98695111
3-cyclopentyl-N-[2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 42883827
2-(4-chlorophenoxy)-N-[(1S)-1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 93117442
N-[1-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83273049
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3-phenylpropanamide
CID 110324148
N-[1-[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenylmethoxyacetamide
CID 42797778
6-amino-N-[1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]hexanamide
CID 42792330
tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
CID 74510096
N-[1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-2-methylbutyl]-3-phenylpropanamide
CID 83280875
2-(4-fluorophenyl)-N-[(1S)-1-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]acetamide
CID 97038139

Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide?
The IUPAC name of N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide (CID 83284501) is N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide.
What is the SMILES notation for N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide?
The canonical SMILES for N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide is COc1cc(OC)cc(-c2noc(C(Cc3ccccc3)NC(=O)CCc3ccccc3)n2)c1.
What is the InChIKey of N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide?
The InChIKey is NVCXZNAXJASUTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O4/c1-32-22-16-21(17-23(18-22)33-2)26-29-27(34-30-26)24(15-20-11-7-4-8-12-20)28-25(31)14-13-19-9-5-3-6-10-19/h3-12,16-18,24H,13-15H2,1-2H3,(H,28,31).
What are the key properties of N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide?
N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide has a molecular weight of 457.53 g/mol, XLogP of 4.79, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide is sourced from PubChem (CID 83284501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).