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

C17H21N3O4 — CID 18584049

IUPACN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)C3CCCCC3)o2)cc1OC
InChIInChI=1S/C17H21N3O4/c1-22-13-9-8-12(10-14(13)23-2)16-19-20-17(24-16)18-15(21)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,20,21)
InChIKeyRYSUSYRDFDRCTM-UHFFFAOYSA-N
MW331.37 g/mol
LogP3.27
Rot. Bonds5

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

N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 18584049) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
PubChem CID18584049
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESCOc1ccc(-c2nnc(NC(=O)C3CCCCC3)o2)cc1OC
InChIInChI=1S/C17H21N3O4/c1-22-13-9-8-12(10-14(13)23-2)16-19-20-17(24-16)18-15(21)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,20,21)
InChIKeyRYSUSYRDFDRCTM-UHFFFAOYSA-N
XLogP3.27
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(cyclohexanecarbonylamino)-3-methoxyphenyl]-2-methoxyphenyl]cyclohexanecarboxamide
CID 3502281
N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 16854750
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-piperidin-1-ylsulfonylbenzamide
CID 5079667
N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 3251832
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-methylbenzamide
CID 7655700
1-(benzenesulfonyl)-N-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]piperidine-3-carboxamide
CID 16828917
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 7655711
N-[5-(4-propan-2-ylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 41228079
4-cyano-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655668
N-[5-(7-methoxy-1-benzofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclopropanecarboxamide
CID 40956673
N-[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
CID 43972651
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (CID 18584049) is N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is COc1ccc(-c2nnc(NC(=O)C3CCCCC3)o2)cc1OC.
What is the InChIKey of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is RYSUSYRDFDRCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-22-13-9-8-12(10-14(13)23-2)16-19-20-17(24-16)18-15(21)11-6-4-3-5-7-11/h8-11H,3-7H2,1-2H3,(H,18,20,21).
What are the key properties of N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 331.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 18584049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).