N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide

C20H15FN4O2 — CID 53162177

IUPACN-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1cc(F)ccc1NC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1
InChIInChI=1S/C20H15FN4O2/c1-12-9-15(21)5-7-16(12)23-18(26)11-19-24-25-20(27-19)14-4-6-17-13(10-14)3-2-8-22-17/h2-10H,11H2,1H3,(H,23,26)
InChIKeyZKJPNKLZNGPFIZ-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.91
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide

N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (PubChem CID 53162177) has the molecular formula C20H15FN4O2 and a molecular weight of 362.36 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
PubChem CID53162177
Molecular FormulaC20H15FN4O2
Molecular Weight362.36 g/mol
Exact Mass362.12
IUPAC NameN-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide
SMILESCc1cc(F)ccc1NC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1
InChIInChI=1S/C20H15FN4O2/c1-12-9-15(21)5-7-16(12)23-18(26)11-19-24-25-20(27-19)14-4-6-17-13(10-14)3-2-8-22-17/h2-10H,11H2,1H3,(H,23,26)
InChIKeyZKJPNKLZNGPFIZ-UHFFFAOYSA-N
XLogP3.91
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butylphenyl)-4-(3-(5-methyl-1,3,4-oxadiazol-2-yl)pyridin-2-yl)benzamide
CID 44416415
4-(3-(1,3,4-oxadiazol-2-yl)pyridin-2-yl)-N-(4-tert-butylphenyl)benzamide
CID 44416470
2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)ethyl N-(pyridin-3-ylmethyl)carbamodithioate
CID 127027846
N-(2-phenylphenyl)-8-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)octanamide
CID 137656518
US11420958, Ex. No. 78
CID 148969316
US11420958, Ex. No. 75
CID 154640120
US11420958, Ex. No. 143
CID 154639968
US11420958, Ex. No. 145
CID 154639975
US11420958, Ex. No. 159
CID 154639976
US11420958, Ex. No. 266
CID 154640010
US11420958, Ex. No. 69
CID 154640050
N-(4-tert-butylphenyl)-5-{2-[2-(pyridin-4-yl)ethyl]quinolin-3-yl}-1,3,4-oxadiazol-2-amine
CID 23644876

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide (CID 53162177) is N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is Cc1cc(F)ccc1NC(=O)Cc1nnc(-c2ccc3ncccc3c2)o1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
The InChIKey is ZKJPNKLZNGPFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4O2/c1-12-9-15(21)5-7-16(12)23-18(26)11-19-24-25-20(27-19)14-4-6-17-13(10-14)3-2-8-22-17/h2-10H,11H2,1H3,(H,23,26).
What are the key properties of N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide?
N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide has a molecular weight of 362.36 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-2-(5-quinolin-6-yl-1,3,4-oxadiazol-2-yl)acetamide is sourced from PubChem (CID 53162177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).