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

C17H21N3O3 — CID 136533178

IUPACN-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1(c2noc(Cc3ccc(O)cc3)n2)CCCCC1
InChIInChI=1S/C17H21N3O3/c1-12(21)19-17(9-3-2-4-10-17)16-18-15(23-20-16)11-13-5-7-14(22)8-6-13/h5-8,22H,2-4,9-11H2,1H3,(H,19,21)
InChIKeyNDJVCBSBHQGTQV-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.66
Rot. Bonds4

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

N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide (PubChem CID 136533178) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide
PubChem CID136533178
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC NameN-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide
SMILESCC(=O)NC1(c2noc(Cc3ccc(O)cc3)n2)CCCCC1
InChIInChI=1S/C17H21N3O3/c1-12(21)19-17(9-3-2-4-10-17)16-18-15(23-20-16)11-13-5-7-14(22)8-6-13/h5-8,22H,2-4,9-11H2,1H3,(H,19,21)
InChIKeyNDJVCBSBHQGTQV-UHFFFAOYSA-N
XLogP2.66
TPSA88.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-[2-(methylamino)ethyl]propanamide
CID 119502551
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(5-chloro-2-pyridinyl)propanamide
CID 47781119
N-[1-[5-(3-oxo-3-piperazin-1-ylpropyl)-1,2,4-oxadiazol-3-yl]cycloheptyl]acetamide
CID 119402321
N-[1-[5-(furan-3-yl)-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide
CID 100677618
2-[3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]propanoyl-propan-2-ylamino]acetic acid
CID 119198785
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(3-phenoxyphenyl)propanamide
CID 52738993
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(1-amino-2,3-dimethylbutan-2-yl)propanamide
CID 119607563
3-[3-(1-acetamidocycloheptyl)-1,2,4-oxadiazol-5-yl]-N-(4-aminocyclohexyl)propanamide;hydrochloride
CID 119477173
N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]-4-(methylsulfanylmethyl)benzamide
CID 55622314
N-[1-(5-ethyl-1,2,4-oxadiazol-3-yl)cyclopentyl]-3-[4-(methylsulfamoyl)phenyl]propanamide
CID 71864405
2-(4-chlorophenyl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cycloheptyl]acetamide
CID 71896477

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide?
The IUPAC name of N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide (CID 136533178) is N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide.
What is the SMILES notation for N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide?
The canonical SMILES for N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide is CC(=O)NC1(c2noc(Cc3ccc(O)cc3)n2)CCCCC1.
What is the InChIKey of N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide?
The InChIKey is NDJVCBSBHQGTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-12(21)19-17(9-3-2-4-10-17)16-18-15(23-20-16)11-13-5-7-14(22)8-6-13/h5-8,22H,2-4,9-11H2,1H3,(H,19,21).
What are the key properties of N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide?
N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-[(4-hydroxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexyl]acetamide is sourced from PubChem (CID 136533178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).