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

C16H21N3O5 — CID 110368276

IUPAC3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nnc(C(C)C)o2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O5/c1-9(2)16-19-18-13(24-16)8-17-15(20)10-6-11(21-3)14(23-5)12(7-10)22-4/h6-7,9H,8H2,1-5H3,(H,17,20)
InChIKeyMAHMQDRHFNARCS-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.15
Rot. Bonds7

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

3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (PubChem CID 110368276) has the molecular formula C16H21N3O5 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
PubChem CID110368276
Molecular FormulaC16H21N3O5
Molecular Weight335.36 g/mol
Exact Mass335.15
IUPAC Name3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nnc(C(C)C)o2)cc(OC)c1OC
InChIInChI=1S/C16H21N3O5/c1-9(2)16-19-18-13(24-16)8-17-15(20)10-6-11(21-3)14(23-5)12(7-10)22-4/h6-7,9H,8H2,1-5H3,(H,17,20)
InChIKeyMAHMQDRHFNARCS-UHFFFAOYSA-N
XLogP2.15
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110318833
3-bromo-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 110368262
3,4,5-trimethoxy-N-[[5-(2-oxo-2-pyrrolidin-1-ylethyl)sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
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CID 110443343
3,4,5-trimethoxy-N-[[5-[2-(2-methoxyanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]benzamide
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3,4,5-trimethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
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3,4,5-trimethoxy-N-[(6-methylpyridazin-3-yl)methyl]benzamide
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3-(3-methoxyphenyl)-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 110368336
N-[[5-[2-(2,5-dimethylanilino)-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 4142838
3,4,5-trimethoxy-N-[2-(methylamino)propyl]benzamide
CID 103512763
3,4,5-trimethoxy-N-[(2-methylpyrazol-3-yl)methyl]benzamide
CID 30899209
N-[[5-[2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-1,3,4-oxadiazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 4601471

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide (CID 110368276) is 3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is COc1cc(C(=O)NCc2nnc(C(C)C)o2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
The InChIKey is MAHMQDRHFNARCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O5/c1-9(2)16-19-18-13(24-16)8-17-15(20)10-6-11(21-3)14(23-5)12(7-10)22-4/h6-7,9H,8H2,1-5H3,(H,17,20).
What are the key properties of 3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide?
3,4,5-trimethoxy-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide has a molecular weight of 335.36 g/mol, XLogP of 2.15, 7 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-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzamide is sourced from PubChem (CID 110368276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).