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

C16H19N3O3 — CID 3474144

IUPACN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1-c1nnc(NC(=O)C2CCCCC2)o1
InChIInChI=1S/C16H19N3O3/c1-21-13-10-6-5-9-12(13)15-18-19-16(22-15)17-14(20)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19,20)
InChIKeyZCCMHZOHVWXWTL-UHFFFAOYSA-N
MW301.35 g/mol
LogP3.26
Rot. Bonds4

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

N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (PubChem CID 3474144) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
PubChem CID3474144
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC NameN-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide
SMILESCOc1ccccc1-c1nnc(NC(=O)C2CCCCC2)o1
InChIInChI=1S/C16H19N3O3/c1-21-13-10-6-5-9-12(13)15-18-19-16(22-15)17-14(20)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19,20)
InChIKeyZCCMHZOHVWXWTL-UHFFFAOYSA-N
XLogP3.26
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The IUPAC name of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide (CID 3474144) is N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide.
What is the SMILES notation for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The canonical SMILES for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is COc1ccccc1-c1nnc(NC(=O)C2CCCCC2)o1.
What is the InChIKey of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
The InChIKey is ZCCMHZOHVWXWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-21-13-10-6-5-9-12(13)15-18-19-16(22-15)17-14(20)11-7-3-2-4-8-11/h5-6,9-11H,2-4,7-8H2,1H3,(H,17,19,20).
What are the key properties of N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide?
N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide has a molecular weight of 301.35 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]cyclohexanecarboxamide is sourced from PubChem (CID 3474144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).