N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

C17H18N4O4 — CID 97104408

IUPACN-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cnn2c1OCCC2
InChIInChI=1S/C17H18N4O4/c22-15(14-10-19-21-7-4-8-24-16(14)21)18-9-13-11-20(17(23)25-13)12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2,(H,18,22)/t13-/m0/s1
InChIKeySRQCDRKETNKZDH-ZDUSSCGKSA-N
MW342.35 g/mol
LogP1.42
Rot. Bonds4

About N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide

N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (PubChem CID 97104408) has the molecular formula C17H18N4O4 and a molecular weight of 342.35 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
PubChem CID97104408
Molecular FormulaC17H18N4O4
Molecular Weight342.35 g/mol
Exact Mass342.13
IUPAC NameN-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide
SMILESO=C(NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cnn2c1OCCC2
InChIInChI=1S/C17H18N4O4/c22-15(14-10-19-21-7-4-8-24-16(14)21)18-9-13-11-20(17(23)25-13)12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2,(H,18,22)/t13-/m0/s1
InChIKeySRQCDRKETNKZDH-ZDUSSCGKSA-N
XLogP1.42
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-2-carboxamide
CID 97106799
2-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920439
2-methoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920424
3-fluoro-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]benzamide
CID 16920440
2-(4-morpholin-4-ylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110632593
2-(4-chlorophenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920496
2-chloro-N-[[3-(3-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 110327680
but-2-yne;ethane;N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90796180
2-cyclopropyl-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]-2-phenylacetamide
CID 110632599
N-[[3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-methylbenzamide
CID 16921022
1-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-3-propylthiourea
CID 139799570
3-fluoro-N-[[3-(4-fluorophenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]benzamide
CID 16920742

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The IUPAC name of N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide (CID 97104408) is N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is O=C(NC[C@H]1CN(c2ccccc2)C(=O)O1)c1cnn2c1OCCC2.
What is the InChIKey of N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
The InChIKey is SRQCDRKETNKZDH-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18N4O4/c22-15(14-10-19-21-7-4-8-24-16(14)21)18-9-13-11-20(17(23)25-13)12-5-2-1-3-6-12/h1-3,5-6,10,13H,4,7-9,11H2,(H,18,22)/t13-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide?
N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methyl]-6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazine-3-carboxamide is sourced from PubChem (CID 97104408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).