N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

C21H20FN3O3 — CID 167591068

IUPACN-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)nc2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-4-21(27)25(3)18-8-6-14(9-16(18)22)15-5-7-17(23-12-15)19(26)10-20-24-11-13(2)28-20/h5-9,11-12H,4,10H2,1-3H3
InChIKeyFRSUMWAIUOXCIL-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.98
Rot. Bonds6

About N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide

N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167591068) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167591068
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)nc2)cc1F
InChIInChI=1S/C21H20FN3O3/c1-4-21(27)25(3)18-8-6-14(9-16(18)22)15-5-7-17(23-12-15)19(26)10-20-24-11-13(2)28-20/h5-9,11-12H,4,10H2,1-3H3
InChIKeyFRSUMWAIUOXCIL-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

Analyze N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide with MolForge

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Related Compounds

OL-135
CID 10427006
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[3-(trifluoromethyl)phenyl]heptan-1-one
CID 16735158
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(o-tolyl)heptane
CID 16735381
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(p-tolyl)heptane
CID 16735382
7-(4-Aminophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735384
7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[2-(trifluoromethyl)phenyl]heptan-1-one
CID 16736219
1-[5-(Pyridin-2-yl)-1,3-oxazol-2-yl]-7-[4-(trifluoromethyl)phenyl]heptan-1-one
CID 16736220
1-Oxo-1-[5-(2-pyridyl)oxazol-2-yl]-7-(m-tolyl)heptane
CID 16736619
7-(2-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736627
7-(4-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16736628
3-(Methyl(3-phenylpropyl)amino)-1-(5-(pyridin-2-yl)oxazol-2-yl)propan-1-one
CID 16738148

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167591068) is N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)nc2)cc1F.
What is the InChIKey of N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is FRSUMWAIUOXCIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-4-21(27)25(3)18-8-6-14(9-16(18)22)15-5-7-17(23-12-15)19(26)10-20-24-11-13(2)28-20/h5-9,11-12H,4,10H2,1-3H3.
What are the key properties of N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
N-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-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-[2-fluoro-4-[6-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167591068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).