N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide

C21H20FN3O3 — CID 167538672

IUPACN-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cn2)c(F)c1
InChIInChI=1S/C21H20FN3O3/c1-4-21(27)25(3)15-6-7-17(18(22)10-15)19-8-5-14(12-23-19)20(26)11-16-9-13(2)24-28-16/h5-10,12H,4,11H2,1-3H3
InChIKeyCDKHPILUASSGOD-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.98
Rot. Bonds6

About N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide

N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167538672) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167538672
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cn2)c(F)c1
InChIInChI=1S/C21H20FN3O3/c1-4-21(27)25(3)15-6-7-17(18(22)10-15)19-8-5-14(12-23-19)20(26)11-16-9-13(2)24-28-16/h5-10,12H,4,11H2,1-3H3
InChIKeyCDKHPILUASSGOD-UHFFFAOYSA-N
XLogP3.98
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-fluoro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167654048
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[3-fluoro-4-[5-[2-(1-methylpyrazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167663805
N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
CID 167590752
N-[3-fluoro-4-[5-[3-(6-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167701388
N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
CID 167605649
N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
CID 167683267
N-[3-chloro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167544590
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
6-[2-fluoro-4-[methyl(propanoyl)amino]phenyl]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 153360908
N-[3-chloro-4-[5-[2-(1H-pyrazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167606937
1-(4-chlorophenyl)-2-(3-methyl-1,2-oxazol-5-yl)ethanone
CID 15239218

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide (CID 167538672) is N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3cc(C)no3)cn2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is CDKHPILUASSGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-4-21(27)25(3)15-6-7-17(18(22)10-15)19-8-5-14(12-23-19)20(26)11-16-9-13(2)24-28-16/h5-10,12H,4,11H2,1-3H3.
What are the key properties of N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide?
N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 381.41 g/mol, XLogP of 3.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167538672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).