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

C20H18FN3O3 — CID 167659055

IUPACN-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncco3)nc2)c(F)c1
InChIInChI=1S/C20H18FN3O3/c1-3-20(26)24(2)14-5-6-15(16(21)10-14)13-4-7-17(23-12-13)18(25)11-19-22-8-9-27-19/h4-10,12H,3,11H2,1-2H3
InChIKeyQTVVSOFHQNHZGH-UHFFFAOYSA-N
MW367.38 g/mol
LogP3.67
Rot. Bonds6

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

N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (PubChem CID 167659055) has the molecular formula C20H18FN3O3 and a molecular weight of 367.38 g/mol. Its IUPAC name is N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
PubChem CID167659055
Molecular FormulaC20H18FN3O3
Molecular Weight367.38 g/mol
Exact Mass367.13
IUPAC NameN-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncco3)nc2)c(F)c1
InChIInChI=1S/C20H18FN3O3/c1-3-20(26)24(2)14-5-6-15(16(21)10-14)13-4-7-17(23-12-13)18(25)11-19-22-8-9-27-19/h4-10,12H,3,11H2,1-2H3
InChIKeyQTVVSOFHQNHZGH-UHFFFAOYSA-N
XLogP3.67
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-(3-Fluorophenyl)-1-[5-(pyridin-2-yl)-1,3-oxazol-2-yl]heptan-1-one
CID 16735386
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
1-(5-(4-Fluoropyridin-2-yl)oxazol-2-yl)-7-phenylheptan-1-one
CID 16110654
2-[3-(2-Fluorophenyl)-1-methylpyridin-1-ium-2-yl]-1,3-oxazole
CID 20187083
3-fluoro-N-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]pyridine-4-carboxamide
CID 24830317
[(3S)-3-[4-(4-fluorophenyl)-1,3-oxazol-2-yl]piperidin-1-yl]-(3-fluoro-4-pyridinyl)methanone
CID 24984548
(S)-(3-(4-(2-Fluoro-phenyl)-oxazol-2-yl)-piperidin-1-yl)(2-fluoro-pyridin-4-yl)-methanone
CID 24984554
(S)-(3-(4-(2,4-Difluoro-phenyl)-oxazol-2-yl)-piperidin-1-yl)(2-fluoro-pyridin-4-yl)-methanone
CID 24984710
1-[3-(2-Fluoro-4-methylphenyl)-5-(5-pyridin-2-yl-4,5-dihydro-1,2-oxazol-3-yl)phenyl]-3-(1,3-oxazol-2-yl)propan-1-one
CID 58096153
1-(3-Fluoro-4-pyridinyl)-2-[4-[2-(1,3-oxazol-5-yl)cyclohexen-1-yl]phenyl]ethanone
CID 58110491

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide (CID 167659055) is N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncco3)nc2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
The InChIKey is QTVVSOFHQNHZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O3/c1-3-20(26)24(2)14-5-6-15(16(21)10-14)13-4-7-17(23-12-13)18(25)11-19-22-8-9-27-19/h4-10,12H,3,11H2,1-2H3.
What are the key properties of N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide?
N-[3-fluoro-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide has a molecular weight of 367.38 g/mol, XLogP of 3.67, 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-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167659055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).