N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

C17H21N3O4 — CID 18740960

IUPACN-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NCC1CN(c2ccc3c(c2)N(C=O)C(C)C3)C(=O)O1
InChIInChI=1S/C17H21N3O4/c1-3-16(22)18-8-14-9-19(17(23)24-14)13-5-4-12-6-11(2)20(10-21)15(12)7-13/h4-5,7,10-11,14H,3,6,8-9H2,1-2H3,(H,18,22)
InChIKeyVYRKABITYQTKKE-UHFFFAOYSA-N
MW331.37 g/mol
LogP1.45
Rot. Bonds5

About N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide

N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (PubChem CID 18740960) has the molecular formula C17H21N3O4 and a molecular weight of 331.37 g/mol. Its IUPAC name is N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.

Molecular Properties

Compound NameN-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
PubChem CID18740960
Molecular FormulaC17H21N3O4
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
SMILESCCC(=O)NCC1CN(c2ccc3c(c2)N(C=O)C(C)C3)C(=O)O1
InChIInChI=1S/C17H21N3O4/c1-3-16(22)18-8-14-9-19(17(23)24-14)13-5-4-12-6-11(2)20(10-21)15(12)7-13/h4-5,7,10-11,14H,3,6,8-9H2,1-2H3,(H,18,22)
InChIKeyVYRKABITYQTKKE-UHFFFAOYSA-N
XLogP1.45
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[[(5S)-3-[(2R)-1-formyl-2-methyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 12971629
N-[[3-(4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 16920543
N-[[(5S)-3-[(2R)-2-(fluoromethyl)-1-formyl-2,3-dihydroindol-5-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18740897
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-[[3-[3-fluoro-4-(1-oxothian-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 20671340
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
methyl N-[[3-(2-methoxyimino-1-methyl-3,4-dihydroquinolin-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]carbamate
CID 72791269
N-[[3-[4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide;ethane;methane
CID 142270561
N-[[3-(3,4-dimethylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 20666078
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
1-[[(5S)-3-(2-methyl-2,3-dihydro-1-benzofuran-5-yl)-2-oxo-1,3-oxazolidin-5-yl]methylamino]ethylidenetungsten
CID 59890261
5-chloro-N-[[2-oxo-3-[3-(propanoylamino)-4-pyrrolidin-1-ylphenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58777752

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The IUPAC name of N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide (CID 18740960) is N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide.
What is the SMILES notation for N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The canonical SMILES for N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is CCC(=O)NCC1CN(c2ccc3c(c2)N(C=O)C(C)C3)C(=O)O1.
What is the InChIKey of N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
The InChIKey is VYRKABITYQTKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O4/c1-3-16(22)18-8-14-9-19(17(23)24-14)13-5-4-12-6-11(2)20(10-21)15(12)7-13/h4-5,7,10-11,14H,3,6,8-9H2,1-2H3,(H,18,22).
What are the key properties of N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide?
N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide has a molecular weight of 331.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-formyl-2-methyl-2,3-dihydroindol-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide is sourced from PubChem (CID 18740960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).