N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide

C17H19F2N3O3 — CID 90968927

IUPACN-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1COC(=O)N1c1cc(F)c(C2CC=NC2)c(F)c1
InChIInChI=1S/C17H19F2N3O3/c1-2-15(23)21-8-12-9-25-17(24)22(12)11-5-13(18)16(14(19)6-11)10-3-4-20-7-10/h4-6,10,12H,2-3,7-9H2,1H3,(H,21,23)
InChIKeyBIQUUGXKMXJADN-UHFFFAOYSA-N
MW351.35 g/mol
LogP2.37
Rot. Bonds5

About N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide

N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide (PubChem CID 90968927) has the molecular formula C17H19F2N3O3 and a molecular weight of 351.35 g/mol. Its IUPAC name is N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide
PubChem CID90968927
Molecular FormulaC17H19F2N3O3
Molecular Weight351.35 g/mol
Exact Mass351.14
IUPAC NameN-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide
SMILESCCC(=O)NCC1COC(=O)N1c1cc(F)c(C2CC=NC2)c(F)c1
InChIInChI=1S/C17H19F2N3O3/c1-2-15(23)21-8-12-9-25-17(24)22(12)11-5-13(18)16(14(19)6-11)10-3-4-20-7-10/h4-6,10,12H,2-3,7-9H2,1H3,(H,21,23)
InChIKeyBIQUUGXKMXJADN-UHFFFAOYSA-N
XLogP2.37
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.35
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide?
The IUPAC name of N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide (CID 90968927) is N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide?
The canonical SMILES for N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide is CCC(=O)NCC1COC(=O)N1c1cc(F)c(C2CC=NC2)c(F)c1.
What is the InChIKey of N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide?
The InChIKey is BIQUUGXKMXJADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O3/c1-2-15(23)21-8-12-9-25-17(24)22(12)11-5-13(18)16(14(19)6-11)10-3-4-20-7-10/h4-6,10,12H,2-3,7-9H2,1H3,(H,21,23).
What are the key properties of N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide?
N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide has a molecular weight of 351.35 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-(3,4-dihydro-2H-pyrrol-3-yl)-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]propanamide is sourced from PubChem (CID 90968927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).