3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

C20H26FN3O4 — CID 56871525

IUPAC3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCC(C)C1CN(C(=O)CN2CCOC2=O)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O4/c1-14(2)17-12-22(19(26)13-23-9-10-28-20(23)27)8-7-18(25)24(17)11-15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3
InChIKeyBUWBFZQORFNUKW-UHFFFAOYSA-N
MW391.44 g/mol
LogP1.86
Rot. Bonds5

About 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one

3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 56871525) has the molecular formula C20H26FN3O4 and a molecular weight of 391.44 g/mol. Its IUPAC name is 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID56871525
Molecular FormulaC20H26FN3O4
Molecular Weight391.44 g/mol
Exact Mass391.19
IUPAC Name3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESCC(C)C1CN(C(=O)CN2CCOC2=O)CCC(=O)N1Cc1ccc(F)cc1
InChIInChI=1S/C20H26FN3O4/c1-14(2)17-12-22(19(26)13-23-9-10-28-20(23)27)8-7-18(25)24(17)11-15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3
InChIKeyBUWBFZQORFNUKW-UHFFFAOYSA-N
XLogP1.86
TPSA70.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.44
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 56871525) is 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is CC(C)C1CN(C(=O)CN2CCOC2=O)CCC(=O)N1Cc1ccc(F)cc1.
What is the InChIKey of 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is BUWBFZQORFNUKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O4/c1-14(2)17-12-22(19(26)13-23-9-10-28-20(23)27)8-7-18(25)24(17)11-15-3-5-16(21)6-4-15/h3-6,14,17H,7-13H2,1-2H3.
What are the key properties of 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one?
3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 391.44 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[4-[(4-fluorophenyl)methyl]-5-oxo-3-propan-2-yl-1,4-diazepan-1-yl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 56871525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).