N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H19N3O6 — CID 57028429

IUPACN-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)O1
InChIInChI=1S/C19H19N3O6/c1-13(23)20-10-16-11-21(19(24)28-16)15-7-8-18(17(9-15)22(25)26)27-12-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeySMMFOICDHQPWOI-INIZCTEOSA-N
MW385.38 g/mol
LogP2.64
Rot. Bonds7

About N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 57028429) has the molecular formula C19H19N3O6 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID57028429
Molecular FormulaC19H19N3O6
Molecular Weight385.38 g/mol
Exact Mass385.13
IUPAC NameN-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)O1
InChIInChI=1S/C19H19N3O6/c1-13(23)20-10-16-11-21(19(24)28-16)15-7-8-18(17(9-15)22(25)26)27-12-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,20,23)/t16-/m0/s1
InChIKeySMMFOICDHQPWOI-INIZCTEOSA-N
XLogP2.64
TPSA111.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[(5S)-2-oxo-3-[4-(8-phenylmethoxyimidazo[1,2-a]pyridine-3-carbonyl)phenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57040200
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-[4-[4-(3-nitro-2-pyridinyl)piperazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142671637
benzyl 4-[4-[5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]piperazine-1-carboxylate
CID 67054838
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
N-[[(5S)-3-(4-iodo-3-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57270308
N-[[(5R)-3-[4-(hydroxymethyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54472628
N-[[3-(3-chloro-4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-phenylacetamide
CID 110328345
N-[[(5S)-3-(4-amino-3-hydroxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 54229929
N-[[(5S)-3-(3-hydroxy-4-iodophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 57061555

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 57028429) is N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(OCc3ccccc3)c([N+](=O)[O-])c2)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is SMMFOICDHQPWOI-INIZCTEOSA-N. The full InChI is InChI=1S/C19H19N3O6/c1-13(23)20-10-16-11-21(19(24)28-16)15-7-8-18(17(9-15)22(25)26)27-12-14-5-3-2-4-6-14/h2-9,16H,10-12H2,1H3,(H,20,23)/t16-/m0/s1.
What are the key properties of N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 385.38 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-(3-nitro-4-phenylmethoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 57028429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).