N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide

C19H17FN4O7 — CID 6475968

IUPACN-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(NC(=O)c3ccc(/C=C/[N+](=O)[O-])o3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17FN4O7/c1-11(25)21-9-14-10-23(19(27)31-14)12-2-4-16(15(20)8-12)22-18(26)17-5-3-13(30-17)6-7-24(28)29/h2-8,14H,9-10H2,1H3,(H,21,25)(H,22,26)/b7-6+/t14-/m0/s1
InChIKeyVNUGUOTVSCCUHH-UZYOAWRESA-N
MW432.36 g/mol
LogP2.38
Rot. Bonds7

About N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide

N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide (PubChem CID 6475968) has the molecular formula C19H17FN4O7 and a molecular weight of 432.36 g/mol. Its IUPAC name is N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide
PubChem CID6475968
Molecular FormulaC19H17FN4O7
Molecular Weight432.36 g/mol
Exact Mass432.11
IUPAC NameN-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(NC(=O)c3ccc(/C=C/[N+](=O)[O-])o3)c(F)c2)C(=O)O1
InChIInChI=1S/C19H17FN4O7/c1-11(25)21-9-14-10-23(19(27)31-14)12-2-4-16(15(20)8-12)22-18(26)17-5-3-13(30-17)6-7-24(28)29/h2-8,14H,9-10H2,1H3,(H,21,25)(H,22,26)/b7-6+/t14-/m0/s1
InChIKeyVNUGUOTVSCCUHH-UZYOAWRESA-N
XLogP2.38
TPSA144.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.36
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[[(5S)-3-[3-fluoro-4-[4-[(E)-2-nitroethenyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 24809592
N-[[3-[3-fluoro-4-[4-[(E)-2-nitroethenyl]phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 69099044
tert-butyl N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]carbamate
CID 139949494
N-[[(5S)-3-[4-(azetidin-3-ylamino)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273734
N-[[(5S)-3-[3-fluoro-4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15433046
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-(4-acetyl-3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 15164522
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217
N-[[(5S)-3-[3-fluoro-4-(piperidin-4-ylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 67273834
N-[[(5S)-3-[4-[(4-aminophenyl)sulfonylamino]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10432351

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide (CID 6475968) is N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide is CC(=O)NC[C@H]1CN(c2ccc(NC(=O)c3ccc(/C=C/[N+](=O)[O-])o3)c(F)c2)C(=O)O1.
What is the InChIKey of N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide?
The InChIKey is VNUGUOTVSCCUHH-UZYOAWRESA-N. The full InChI is InChI=1S/C19H17FN4O7/c1-11(25)21-9-14-10-23(19(27)31-14)12-2-4-16(15(20)8-12)22-18(26)17-5-3-13(30-17)6-7-24(28)29/h2-8,14H,9-10H2,1H3,(H,21,25)(H,22,26)/b7-6+/t14-/m0/s1.
What are the key properties of N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide?
N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide has a molecular weight of 432.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-5-[(E)-2-nitroethenyl]furan-2-carboxamide is sourced from PubChem (CID 6475968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).