N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C16H19N3O5 — CID 12971638

IUPACN-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)OC[C@@H](C)N3C=O)C(=O)O1
InChIInChI=1S/C16H19N3O5/c1-10-8-23-15-5-12(3-4-14(15)19(10)9-20)18-7-13(24-16(18)22)6-17-11(2)21/h3-5,9-10,13H,6-8H2,1-2H3,(H,17,21)/t10-,13+/m1/s1
InChIKeyOBTJCFJZODLADX-MFKMUULPSA-N
MW333.34 g/mol
LogP0.89
Rot. Bonds4

About N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 12971638) has the molecular formula C16H19N3O5 and a molecular weight of 333.34 g/mol. Its IUPAC name is N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID12971638
Molecular FormulaC16H19N3O5
Molecular Weight333.34 g/mol
Exact Mass333.13
IUPAC NameN-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2ccc3c(c2)OC[C@@H](C)N3C=O)C(=O)O1
InChIInChI=1S/C16H19N3O5/c1-10-8-23-15-5-12(3-4-14(15)19(10)9-20)18-7-13(24-16(18)22)6-17-11(2)21/h3-5,9-10,13H,6-8H2,1-2H3,(H,17,21)/t10-,13+/m1/s1
InChIKeyOBTJCFJZODLADX-MFKMUULPSA-N
XLogP0.89
TPSA88.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 12971638) is N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc3c(c2)OC[C@@H](C)N3C=O)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is OBTJCFJZODLADX-MFKMUULPSA-N. The full InChI is InChI=1S/C16H19N3O5/c1-10-8-23-15-5-12(3-4-14(15)19(10)9-20)18-7-13(24-16(18)22)6-17-11(2)21/h3-5,9-10,13H,6-8H2,1-2H3,(H,17,21)/t10-,13+/m1/s1.
What are the key properties of N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 333.34 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[(3R)-4-formyl-3-methyl-2,3-dihydro-1,4-benzoxazin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 12971638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).