4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one

C20H16FN3O2 — CID 160905581

IUPAC4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one
SMILESCC1=C(c2cccc(-c3cnc(Nc4ccccc4F)o3)c2)C(=O)NC1
InChIInChI=1S/C20H16FN3O2/c1-12-10-22-19(25)18(12)14-6-4-5-13(9-14)17-11-23-20(26-17)24-16-8-3-2-7-15(16)21/h2-9,11H,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyNHYGEYKQJIHJOM-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.13
Rot. Bonds4

About 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one

4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one (PubChem CID 160905581) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one
PubChem CID160905581
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one
SMILESCC1=C(c2cccc(-c3cnc(Nc4ccccc4F)o3)c2)C(=O)NC1
InChIInChI=1S/C20H16FN3O2/c1-12-10-22-19(25)18(12)14-6-4-5-13(9-14)17-11-23-20(26-17)24-16-8-3-2-7-15(16)21/h2-9,11H,10H2,1H3,(H,22,25)(H,23,24)
InChIKeyNHYGEYKQJIHJOM-UHFFFAOYSA-N
XLogP4.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine
CID 158687708
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine
CID 158173955
N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine
CID 157218081
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
4-methyl-1-N-(5-phenyl-1,3-oxazol-2-yl)-3-N-(5-pyridin-4-yl-1,3-oxazol-2-yl)benzene-1,3-diamine
CID 11395732
1-(2-fluorophenyl)-3-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]urea;1-[4-methyl-3-[(5-pyridin-3-yl-1,3-oxazol-2-yl)amino]phenyl]-3-[4-(trifluoromethyl)phenyl]urea
CID 158834841
5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 141185425
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
3-[5-[2-(5-amino-2-methylanilino)-1,3-oxazol-5-yl]-3-pyridinyl]-1H-pyridin-2-one
CID 90233570
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-fluorophenyl)phenyl]-1,3-oxazol-2-amine
CID 18439732
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240

Frequently Asked Questions

What is the IUPAC name of 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one?
The IUPAC name of 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one (CID 160905581) is 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one?
The canonical SMILES for 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one is CC1=C(c2cccc(-c3cnc(Nc4ccccc4F)o3)c2)C(=O)NC1.
What is the InChIKey of 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one?
The InChIKey is NHYGEYKQJIHJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-12-10-22-19(25)18(12)14-6-4-5-13(9-14)17-11-23-20(26-17)24-16-8-3-2-7-15(16)21/h2-9,11H,10H2,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one?
4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one has a molecular weight of 349.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 160905581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).