4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

C27H27N3O5 — CID 98695111

IUPAC4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCOc1cc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O5/c1-17-10-12-19(13-11-17)26(31)28-21(14-18-8-6-5-7-9-18)27-29-25(30-35-27)20-15-22(32-2)24(34-4)23(16-20)33-3/h5-13,15-16,21H,14H2,1-4H3,(H,28,31)/t21-/m0/s1
InChIKeyFYNIDIOVUTXHBS-NRFANRHFSA-N
MW473.53 g/mol
LogP4.78
Rot. Bonds9

About 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide

4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (PubChem CID 98695111) has the molecular formula C27H27N3O5 and a molecular weight of 473.53 g/mol. Its IUPAC name is 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
PubChem CID98695111
Molecular FormulaC27H27N3O5
Molecular Weight473.53 g/mol
Exact Mass473.20
IUPAC Name4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
SMILESCOc1cc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3ccc(C)cc3)n2)cc(OC)c1OC
InChIInChI=1S/C27H27N3O5/c1-17-10-12-19(13-11-17)26(31)28-21(14-18-8-6-5-7-9-18)27-29-25(30-35-27)20-15-22(32-2)24(34-4)23(16-20)33-3/h5-13,15-16,21H,14H2,1-4H3,(H,28,31)/t21-/m0/s1
InChIKeyFYNIDIOVUTXHBS-NRFANRHFSA-N
XLogP4.78
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.53
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1S)-1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-4-(trifluoromethyl)benzamide
CID 93117435
tert-butyl N-[1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]carbamate
CID 74510096
4-methoxy-N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]benzamide
CID 93117452
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-3-phenylpropanamide
CID 93117460
1-(2,4-difluorophenyl)-3-[1-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]urea
CID 83285449
N-[1-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-3-phenylpropanamide
CID 83284501
N-[(1S,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]furan-2-carboxamide
CID 93071124
N-[(1R,2R)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]butyl]-4-(trifluoromethyl)benzamide
CID 93117468
N-[1-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethyl]-2-phenoxyacetamide
CID 42797745
benzyl N-[(1S)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pentyl]carbamate
CID 69414207
(2S)-1-[[(1S)-2-methyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]propyl]amino]-3-phenylmethoxypropan-2-ol
CID 93184089
(E)-3-phenyl-N-[(1R)-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]prop-2-enamide
CID 97413863

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The IUPAC name of 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide (CID 98695111) is 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The canonical SMILES for 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is COc1cc(-c2noc([C@H](Cc3ccccc3)NC(=O)c3ccc(C)cc3)n2)cc(OC)c1OC.
What is the InChIKey of 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
The InChIKey is FYNIDIOVUTXHBS-NRFANRHFSA-N. The full InChI is InChI=1S/C27H27N3O5/c1-17-10-12-19(13-11-17)26(31)28-21(14-18-8-6-5-7-9-18)27-29-25(30-35-27)20-15-22(32-2)24(34-4)23(16-20)33-3/h5-13,15-16,21H,14H2,1-4H3,(H,28,31)/t21-/m0/s1.
What are the key properties of 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide?
4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide has a molecular weight of 473.53 g/mol, XLogP of 4.78, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1S)-2-phenyl-1-[3-(3,4,5-trimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide is sourced from PubChem (CID 98695111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).