N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

C21H20FN3O3 — CID 17495812

IUPACN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H20FN3O3/c1-25(14-19(26)24-17-9-5-8-16(22)12-17)21(27)11-10-20-23-13-18(28-20)15-6-3-2-4-7-15/h2-9,12-13H,10-11,14H2,1H3,(H,24,26)
InChIKeyDQVMAXBCAOTOQH-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.51
Rot. Bonds7

About N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide

N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 17495812) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID17495812
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC NameN-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C21H20FN3O3/c1-25(14-19(26)24-17-9-5-8-16(22)12-17)21(27)11-10-20-23-13-18(28-20)15-6-3-2-4-7-15/h2-9,12-13H,10-11,14H2,1H3,(H,24,26)
InChIKeyDQVMAXBCAOTOQH-UHFFFAOYSA-N
XLogP3.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 17495812) is N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is CN(CC(=O)Nc1cccc(F)c1)C(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is DQVMAXBCAOTOQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c1-25(14-19(26)24-17-9-5-8-16(22)12-17)21(27)11-10-20-23-13-18(28-20)15-6-3-2-4-7-15/h2-9,12-13H,10-11,14H2,1H3,(H,24,26).
What are the key properties of N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 381.41 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluoroanilino)-2-oxoethyl]-N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 17495812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).