2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide

C19H18FN3O3 — CID 27040316

IUPAC2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C19H18FN3O3/c1-12-5-3-4-6-16(12)13(2)21-17(24)11-23-19(25)26-18(22-23)14-7-9-15(20)10-8-14/h3-10,13H,11H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyNMDWNSKYPNYDCN-ZDUSSCGKSA-N
MW355.37 g/mol
LogP2.83
Rot. Bonds5

About 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide (PubChem CID 27040316) has the molecular formula C19H18FN3O3 and a molecular weight of 355.37 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
PubChem CID27040316
Molecular FormulaC19H18FN3O3
Molecular Weight355.37 g/mol
Exact Mass355.13
IUPAC Name2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide
SMILESCc1ccccc1[C@H](C)NC(=O)Cn1nc(-c2ccc(F)cc2)oc1=O
InChIInChI=1S/C19H18FN3O3/c1-12-5-3-4-6-16(12)13(2)21-17(24)11-23-19(25)26-18(22-23)14-7-9-15(20)10-8-14/h3-10,13H,11H2,1-2H3,(H,21,24)/t13-/m0/s1
InChIKeyNMDWNSKYPNYDCN-ZDUSSCGKSA-N
XLogP2.83
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[1-(2-methoxyphenyl)ethyl]acetamide
CID 42891981
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9032629
(2S)-N-ethyl-2-[[2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetyl]amino]propanamide
CID 9470551
N-(dicyclopropylmethyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 35465234
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N',N'-dimethylacetohydrazide
CID 9180359
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
N-(4-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]acetamide
CID 27039883
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-(propylcarbamoyl)acetamide
CID 27040137
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27039812
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
CID 95128201

Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide (CID 27040316) is 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide is Cc1ccccc1[C@H](C)NC(=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-[(1S)-1-(2-methylphenyl)ethyl]acetamide?
The InChIKey is NMDWNSKYPNYDCN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H18FN3O3/c1-12-5-3-4-6-16(12)13(2)21-17(24)11-23-19(25)26-18(22-23)14-7-9-15(20)10-8-14/h3-10,13H,11H2,1-2H3,(H,21,24)/t13-/m0/s1.
What are the key properties of 2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide?
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-[(1S)-1-(2-methylphenyl)ethyl]acetamide has a molecular weight of 355.37 g/mol, XLogP of 2.83, 5 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-[(1S)-1-(2-methylphenyl)ethyl]acetamide is sourced from PubChem (CID 27040316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).