N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide

C18H19N3O5 — CID 70282224

IUPACN-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1CN(c2ccc3c(c2)cc2n3CCOC2=O)C(=O)O1
InChIInChI=1S/C18H19N3O5/c1-2-16(22)19-9-13-10-21(18(24)26-13)12-3-4-14-11(7-12)8-15-17(23)25-6-5-20(14)15/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyDEXHTJSYTTXEQC-ZDUSSCGKSA-N
MW357.37 g/mol
LogP1.66
Rot. Bonds4

About N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide

N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 70282224) has the molecular formula C18H19N3O5 and a molecular weight of 357.37 g/mol. Its IUPAC name is N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
PubChem CID70282224
Molecular FormulaC18H19N3O5
Molecular Weight357.37 g/mol
Exact Mass357.13
IUPAC NameN-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NC[C@H]1CN(c2ccc3c(c2)cc2n3CCOC2=O)C(=O)O1
InChIInChI=1S/C18H19N3O5/c1-2-16(22)19-9-13-10-21(18(24)26-13)12-3-4-14-11(7-12)8-15-17(23)25-6-5-20(14)15/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,19,22)/t13-/m0/s1
InChIKeyDEXHTJSYTTXEQC-ZDUSSCGKSA-N
XLogP1.66
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.37
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
N-[(3-naphthalen-2-yl-2-oxo-1,3-oxazolidin-5-yl)methyl]acetamide
CID 19012489
N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 18740960
N-[[3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 20671340
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-thiophen-2-ylacetamide
CID 110328025
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
N-[[(5S)-3-[3-fluoro-4-(5-methyl-1,3,4-thiadiazol-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 54499771
N-[[(5S)-3-(9-fluoro-1-methyl-2-oxo-4,5-dihydro-3,1-benzoxazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 23660122
2-ethoxy-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 16920412
N-[[(5S)-3-[3-fluoro-4-[(1S,5R)-3-(2-methoxyacetyl)-3-azabicyclo[3.1.0]hexan-6-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 11166031
2-(4-morpholin-4-ylphenyl)-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]acetamide
CID 110632593
N-[[3-(4-methoxyphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]pentanamide
CID 16921302

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide?
The IUPAC name of N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide (CID 70282224) is N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide.
What is the SMILES notation for N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide?
The canonical SMILES for N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide is CCC(=O)NC[C@H]1CN(c2ccc3c(c2)cc2n3CCOC2=O)C(=O)O1.
What is the InChIKey of N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide?
The InChIKey is DEXHTJSYTTXEQC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H19N3O5/c1-2-16(22)19-9-13-10-21(18(24)26-13)12-3-4-14-11(7-12)8-15-17(23)25-6-5-20(14)15/h3-4,7-8,13H,2,5-6,9-10H2,1H3,(H,19,22)/t13-/m0/s1.
What are the key properties of N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide?
N-[[(5S)-2-oxo-3-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 357.37 g/mol, XLogP of 1.66, 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-(1-oxo-3,4-dihydro-[1,4]oxazino[4,3-a]indol-8-yl)-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 70282224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).