2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide

C17H16N4O2 — CID 30333177

IUPAC2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccccc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C17H16N4O2/c1-11(2)16(22)19-14-8-4-3-7-13(14)17-20-15(21-23-17)12-6-5-9-18-10-12/h3-11H,1-2H3,(H,19,22)
InChIKeyGJGPCCIVTFKGIH-UHFFFAOYSA-N
MW308.34 g/mol
LogP3.39
Rot. Bonds4

About 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide

2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide (PubChem CID 30333177) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
PubChem CID30333177
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
SMILESCC(C)C(=O)Nc1ccccc1-c1nc(-c2cccnc2)no1
InChIInChI=1S/C17H16N4O2/c1-11(2)16(22)19-14-8-4-3-7-13(14)17-20-15(21-23-17)12-6-5-9-18-10-12/h3-11H,1-2H3,(H,19,22)
InChIKeyGJGPCCIVTFKGIH-UHFFFAOYSA-N
XLogP3.39
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866411
6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30334607
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]thiophene-2-carboxamide
CID 30332097
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]quinoline-2-carboxamide
CID 30332916
2-(3-methylphenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331126
2-(4-chlorophenyl)sulfanyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30333673
2-(4-bromophenoxy)-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 30331599
N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]benzenesulfonamide
CID 30332686
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30332842
2-ethyl-N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866769
3-methyl-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]butanamide
CID 39866205
N-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]phenyl]pyridine-3-carboxamide
CID 30332832

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide?
The IUPAC name of 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide (CID 30333177) is 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide?
The canonical SMILES for 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide is CC(C)C(=O)Nc1ccccc1-c1nc(-c2cccnc2)no1.
What is the InChIKey of 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide?
The InChIKey is GJGPCCIVTFKGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2/c1-11(2)16(22)19-14-8-4-3-7-13(14)17-20-15(21-23-17)12-6-5-9-18-10-12/h3-11H,1-2H3,(H,19,22).
What are the key properties of 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide?
2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide has a molecular weight of 308.34 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 30333177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).