N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

About N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 58721912) has the molecular formula C23H27F2N3O4 and a molecular weight of 447.48 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound Name	N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID	58721912
Molecular Formula	C23H27F2N3O4
Molecular Weight	447.48 g/mol
Exact Mass	447.20
IUPAC Name	N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILES	CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(O)CNCCCF)cc3)c(F)c2)C(=O)O1
InChI	InChI=1S/C23H27F2N3O4/c1-15(29)27-12-19-14-28(23(31)32-19)18-7-8-20(21(25)11-18)16-3-5-17(6-4-16)22(30)13-26-10-2-9-24/h3-8,11,19,22,26,30H,2,9-10,12-14H2,1H3,(H,27,29)/t19-,22?/m0/s1
InChIKey	YFNRXRQNVRIAAM-YDNXMHBPSA-N
XLogP	2.94
TPSA	90.90 Å²
H-Bond Donors	3
H-Bond Acceptors	5
Rotatable Bonds	10
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	447.48
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 58721912) is N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(C(O)CNCCCF)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is YFNRXRQNVRIAAM-YDNXMHBPSA-N. The full InChI is InChI=1S/C23H27F2N3O4/c1-15(29)27-12-19-14-28(23(31)32-19)18-7-8-20(21(25)11-18)16-3-5-17(6-4-16)22(30)13-26-10-2-9-24/h3-8,11,19,22,26,30H,2,9-10,12-14H2,1H3,(H,27,29)/t19-,22?/m0/s1.

What are the key properties of N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 447.48 g/mol, XLogP of 2.94, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[2-(3-fluoropropylamino)-1-hydroxyethyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 58721912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).