N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C21H21FN4O3 — CID 74381892

IUPACN-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C4=NCCN4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H21FN4O3/c1-13(27)25-11-17-12-26(21(28)29-17)16-6-7-18(19(22)10-16)14-2-4-15(5-3-14)20-23-8-9-24-20/h2-7,10,17H,8-9,11-12H2,1H3,(H,23,24)(H,25,27)
InChIKeyBOBFMKFQOSVMPA-UHFFFAOYSA-N
MW396.42 g/mol
LogP2.30
Rot. Bonds5

About N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 74381892) has the molecular formula C21H21FN4O3 and a molecular weight of 396.42 g/mol. Its IUPAC name is N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID74381892
Molecular FormulaC21H21FN4O3
Molecular Weight396.42 g/mol
Exact Mass396.16
IUPAC NameN-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NCC1CN(c2ccc(-c3ccc(C4=NCCN4)cc3)c(F)c2)C(=O)O1
InChIInChI=1S/C21H21FN4O3/c1-13(27)25-11-17-12-26(21(28)29-17)16-6-7-18(19(22)10-16)14-2-4-15(5-3-14)20-23-8-9-24-20/h2-7,10,17H,8-9,11-12H2,1H3,(H,23,24)(H,25,27)
InChIKeyBOBFMKFQOSVMPA-UHFFFAOYSA-N
XLogP2.30
TPSA83.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.42
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 74381892) is N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C4=NCCN4)cc3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is BOBFMKFQOSVMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN4O3/c1-13(27)25-11-17-12-26(21(28)29-17)16-6-7-18(19(22)10-16)14-2-4-15(5-3-14)20-23-8-9-24-20/h2-7,10,17H,8-9,11-12H2,1H3,(H,23,24)(H,25,27).
What are the key properties of N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 396.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 74381892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).