N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide

C18H23N5O3 — CID 118788592

IUPACN-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCc2nc(C3CCCCC3)no2)c1
InChIInChI=1S/C18H23N5O3/c1-12(24)20-14-8-5-9-15(10-14)21-18(25)19-11-16-22-17(23-26-16)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,20,24)(H2,19,21,25)
InChIKeyJIBHHXUFMXSXDX-UHFFFAOYSA-N
MW357.41 g/mol
LogP3.40
Rot. Bonds5

About N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide

N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide (PubChem CID 118788592) has the molecular formula C18H23N5O3 and a molecular weight of 357.41 g/mol. Its IUPAC name is N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
PubChem CID118788592
Molecular FormulaC18H23N5O3
Molecular Weight357.41 g/mol
Exact Mass357.18
IUPAC NameN-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(NC(=O)NCc2nc(C3CCCCC3)no2)c1
InChIInChI=1S/C18H23N5O3/c1-12(24)20-14-8-5-9-15(10-14)21-18(25)19-11-16-22-17(23-26-16)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,20,24)(H2,19,21,25)
InChIKeyJIBHHXUFMXSXDX-UHFFFAOYSA-N
XLogP3.40
TPSA109.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide?
The IUPAC name of N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide (CID 118788592) is N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide.
What is the SMILES notation for N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide?
The canonical SMILES for N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide is CC(=O)Nc1cccc(NC(=O)NCc2nc(C3CCCCC3)no2)c1.
What is the InChIKey of N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide?
The InChIKey is JIBHHXUFMXSXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O3/c1-12(24)20-14-8-5-9-15(10-14)21-18(25)19-11-16-22-17(23-26-16)13-6-3-2-4-7-13/h5,8-10,13H,2-4,6-7,11H2,1H3,(H,20,24)(H2,19,21,25).
What are the key properties of N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide?
N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide has a molecular weight of 357.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(3-cyclohexyl-1,2,4-oxadiazol-5-yl)methylcarbamoylamino]phenyl]acetamide is sourced from PubChem (CID 118788592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).