N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

C17H18N4O3 — CID 7561018

IUPACN-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESN#CC1(NC(=O)COc2ccc(-c3nnco3)cc2)CCCCC1
InChIInChI=1S/C17H18N4O3/c18-11-17(8-2-1-3-9-17)20-15(22)10-23-14-6-4-13(5-7-14)16-21-19-12-24-16/h4-7,12H,1-3,8-10H2,(H,20,22)
InChIKeyXJCCBUFJIBRBDN-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.46
Rot. Bonds5

About N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide

N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (PubChem CID 7561018) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
PubChem CID7561018
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
SMILESN#CC1(NC(=O)COc2ccc(-c3nnco3)cc2)CCCCC1
InChIInChI=1S/C17H18N4O3/c18-11-17(8-2-1-3-9-17)20-15(22)10-23-14-6-4-13(5-7-14)16-21-19-12-24-16/h4-7,12H,1-3,8-10H2,(H,20,22)
InChIKeyXJCCBUFJIBRBDN-UHFFFAOYSA-N
XLogP2.46
TPSA101.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The IUPAC name of N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide (CID 7561018) is N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide.
What is the SMILES notation for N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The canonical SMILES for N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is N#CC1(NC(=O)COc2ccc(-c3nnco3)cc2)CCCCC1.
What is the InChIKey of N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
The InChIKey is XJCCBUFJIBRBDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-11-17(8-2-1-3-9-17)20-15(22)10-23-14-6-4-13(5-7-14)16-21-19-12-24-16/h4-7,12H,1-3,8-10H2,(H,20,22).
What are the key properties of N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide?
N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide has a molecular weight of 326.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanocyclohexyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide is sourced from PubChem (CID 7561018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).