2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

C17H20FN3O3 — CID 9272981

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C17H20FN3O3/c1-11-4-2-3-5-14(11)19-15(22)10-21-17(23)24-16(20-21)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,22)/t11-,14-/m1/s1
InChIKeyQNIRMIAMBHVKMU-BXUZGUMPSA-N
MW333.36 g/mol
LogP2.34
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (PubChem CID 9272981) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
PubChem CID9272981
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
SMILESC[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C17H20FN3O3/c1-11-4-2-3-5-14(11)19-15(22)10-21-17(23)24-16(20-21)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,22)/t11-,14-/m1/s1
InChIKeyQNIRMIAMBHVKMU-BXUZGUMPSA-N
XLogP2.34
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1S,2R)-2-methylcyclohexyl]-2-[5-(4-methylphenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]acetamide
CID 126169040
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359
N-(3,4-dihydro-2H-chromen-4-yl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 84941430
2-[5-(4-fluorophenyl)tetrazol-2-yl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 9355690
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]acetamide
CID 9210739
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(propylcarbamoyl)acetamide
CID 27040137
[1-(cyclohexylmethylamino)-1-oxopropan-2-yl] 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetate
CID 46678571
2-(8-fluoro-4-methyl-1-oxo-[1,2,4]triazino[4,5-a]indol-2-yl)-N-(2-methylcyclohexyl)acetamide
CID 20884971
2-[4-[2-(4-fluoroanilino)-2-oxoethyl]piperazin-1-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide
CID 8719210
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N'-methyl-N'-phenylacetohydrazide
CID 9480149
N-(4-fluoro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 9426253
2-[2-(4-fluorophenyl)morpholin-4-yl]-N-(2-methylcyclohexyl)acetamide
CID 42949577

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide (CID 9272981) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is C[C@@H]1CCCC[C@H]1NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O.
What is the InChIKey of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
The InChIKey is QNIRMIAMBHVKMU-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-4-2-3-5-14(11)19-15(22)10-21-17(23)24-16(20-21)12-6-8-13(18)9-7-12/h6-9,11,14H,2-5,10H2,1H3,(H,19,22)/t11-,14-/m1/s1.
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide has a molecular weight of 333.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1R,2R)-2-methylcyclohexyl]acetamide is sourced from PubChem (CID 9272981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).