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

C22H21FN2O3 — CID 167683267

IUPACN-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(F)c1
InChIInChI=1S/C22H21FN2O3/c1-4-22(27)25(3)17-9-10-18(19(23)11-17)15-5-7-16(8-6-15)20(26)12-21-24-13-14(2)28-21/h5-11,13H,4,12H2,1-3H3
InChIKeyCHYNTUHCBSNIJR-UHFFFAOYSA-N
MW380.42 g/mol
LogP4.59
Rot. Bonds6

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

N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide (PubChem CID 167683267) has the molecular formula C22H21FN2O3 and a molecular weight of 380.42 g/mol. Its IUPAC name is N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
PubChem CID167683267
Molecular FormulaC22H21FN2O3
Molecular Weight380.42 g/mol
Exact Mass380.15
IUPAC NameN-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide
SMILESCCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(F)c1
InChIInChI=1S/C22H21FN2O3/c1-4-22(27)25(3)17-9-10-18(19(23)11-17)15-5-7-16(8-6-15)20(26)12-21-24-13-14(2)28-21/h5-11,13H,4,12H2,1-3H3
InChIKeyCHYNTUHCBSNIJR-UHFFFAOYSA-N
XLogP4.59
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-3-fluorophenyl]-N-methylpropanamide
CID 167703750
N-[3-fluoro-4-[5-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167538672
N-[3-fluoro-4-[6-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-3-pyridinyl]phenyl]-N-methylpropanamide
CID 167654047
N-[3-fluoro-4-[5-[2-(4-methyl-1,3-thiazol-2-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167654048
N-[4-[6-[3-(6-amino-3-pyridinyl)propanoyl]-3-pyridinyl]-3-fluorophenyl]-N-methylpropanamide
CID 167571065
N-[3-fluoro-4-[5-[2-(1-methylpyrazol-4-yl)acetyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167663805
N-methyl-N-[3-methyl-4-[6-[2-(1,3-oxazol-2-yl)acetyl]-3-pyridinyl]phenyl]propanamide
CID 167659057
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-methyl-N-[4-[4-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]phenyl]phenyl]propanamide
CID 167590752
N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-2-hydroxyphenyl]phenyl]-N-methylpropanamide
CID 167543424
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
CID 167595216
N-methyl-N-[3-methyl-4-[5-(2-pyridin-4-ylacetyl)-2-pyridinyl]phenyl]propanamide
CID 167605649

Frequently Asked Questions

What is the IUPAC name of N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The IUPAC name of N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide (CID 167683267) is N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide.
What is the SMILES notation for N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The canonical SMILES for N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide is CCC(=O)N(C)c1ccc(-c2ccc(C(=O)Cc3ncc(C)o3)cc2)c(F)c1.
What is the InChIKey of N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
The InChIKey is CHYNTUHCBSNIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN2O3/c1-4-22(27)25(3)17-9-10-18(19(23)11-17)15-5-7-16(8-6-15)20(26)12-21-24-13-14(2)28-21/h5-11,13H,4,12H2,1-3H3.
What are the key properties of N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide?
N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide has a molecular weight of 380.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-fluoro-4-[4-[2-(5-methyl-1,3-oxazol-2-yl)acetyl]phenyl]phenyl]-N-methylpropanamide is sourced from PubChem (CID 167683267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).