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

C15H19N3O5 — CID 94809095

IUPAC3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2nc(C)no2)cc(OC)c1OC
InChIInChI=1S/C15H19N3O5/c1-8(15-17-9(2)18-23-15)16-14(19)10-6-11(20-3)13(22-5)12(7-10)21-4/h6-8H,1-5H3,(H,16,19)/t8-/m0/s1
InChIKeyADAZCQMAMSFVNN-QMMMGPOBSA-N
MW321.33 g/mol
LogP1.89
Rot. Bonds6

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

3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (PubChem CID 94809095) has the molecular formula C15H19N3O5 and a molecular weight of 321.33 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
PubChem CID94809095
Molecular FormulaC15H19N3O5
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)N[C@@H](C)c2nc(C)no2)cc(OC)c1OC
InChIInChI=1S/C15H19N3O5/c1-8(15-17-9(2)18-23-15)16-14(19)10-6-11(20-3)13(22-5)12(7-10)21-4/h6-8H,1-5H3,(H,16,19)/t8-/m0/s1
InChIKeyADAZCQMAMSFVNN-QMMMGPOBSA-N
XLogP1.89
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-methoxy-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(1-methylpiperidin-4-yl)oxybenzamide
CID 72865235
N-[1-(3,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 17326429
3,4,5-trimethoxy-N-[(2S)-3-methylbutan-2-yl]benzamide
CID 92527695
N-[1-(2,4-dimethylphenyl)ethyl]-3,4,5-trimethoxybenzamide
CID 2807075
N-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)benzamide
CID 52800488
1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95351009
2,4-dimethyl-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 94789301
N-[1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 49179572
N-[(1R)-1-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,4-dimethoxybenzamide
CID 52513082
3-methyl-5-propan-2-yl-N'-(3,4,5-trimethoxybenzoyl)-1,2-oxazole-4-carbohydrazide
CID 9273624
2,4-dimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 51729270
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3,4,5-trimethoxybenzamide
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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide (CID 94809095) is 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is COc1cc(C(=O)N[C@@H](C)c2nc(C)no2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
The InChIKey is ADAZCQMAMSFVNN-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H19N3O5/c1-8(15-17-9(2)18-23-15)16-14(19)10-6-11(20-3)13(22-5)12(7-10)21-4/h6-8H,1-5H3,(H,16,19)/t8-/m0/s1.
What are the key properties of 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide?
3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide has a molecular weight of 321.33 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide is sourced from PubChem (CID 94809095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).