N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

C15H18N2O3S — CID 91082350

IUPACN-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COC(=O)N1c1ccc2c(c1)CSCC2
InChIInChI=1S/C15H18N2O3S/c1-10(18)16-7-14-8-20-15(19)17(14)13-3-2-11-4-5-21-9-12(11)6-13/h2-3,6,14H,4-5,7-9H2,1H3,(H,16,18)
InChIKeyAYKGFBRWYXEODV-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.94
Rot. Bonds3

About N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide

N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (PubChem CID 91082350) has the molecular formula C15H18N2O3S and a molecular weight of 306.39 g/mol. Its IUPAC name is N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
PubChem CID91082350
Molecular FormulaC15H18N2O3S
Molecular Weight306.39 g/mol
Exact Mass306.10
IUPAC NameN-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
SMILESCC(=O)NCC1COC(=O)N1c1ccc2c(c1)CSCC2
InChIInChI=1S/C15H18N2O3S/c1-10(18)16-7-14-8-20-15(19)17(14)13-3-2-11-4-5-21-9-12(11)6-13/h2-3,6,14H,4-5,7-9H2,1H3,(H,16,18)
InChIKeyAYKGFBRWYXEODV-UHFFFAOYSA-N
XLogP1.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide with MolForge

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Related Compounds

N-[[(4S)-3-[4-(2,3-dihydrothiophen-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54226334
N-[[3-[4-(3,4-dihydro-2H-thiopyran-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 57179456
N-[[(4S)-3-[3-fluoro-4-(4-nitrosopiperidin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54525233
N-[[(4S)-3-[3-fluoro-4-[3-(methoxyiminomethyl)pyrrol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 54238701
N-[[3-(3,4-dihydro-1H-isothiochromen-6-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 10268088
N-[(3-methyl-2-oxo-1,3-oxazolidin-4-yl)methyl]acetamide
CID 143626147
N-[[3-[4-(6-naphthalen-2-ylsulfonyl-1,2,3,6-tetrahydropyridin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide
CID 57285683
N-[[3-(3-methylsulfonyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10110385
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-4-yl]methyl]ethanethioamide
CID 90729376
methyl 2-[(4S)-3-(3-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]acetate
CID 122373868
N-[[(5S)-3-(2-methyl-1,3,4,5-tetrahydro-2-benzazepin-7-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10448522
4-[(5R)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorobenzoic acid
CID 129386385

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide (CID 91082350) is N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is CC(=O)NCC1COC(=O)N1c1ccc2c(c1)CSCC2.
What is the InChIKey of N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
The InChIKey is AYKGFBRWYXEODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3S/c1-10(18)16-7-14-8-20-15(19)17(14)13-3-2-11-4-5-21-9-12(11)6-13/h2-3,6,14H,4-5,7-9H2,1H3,(H,16,18).
What are the key properties of N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide?
N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide has a molecular weight of 306.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3,4-dihydro-1H-isothiochromen-7-yl)-2-oxo-1,3-oxazolidin-4-yl]methyl]acetamide is sourced from PubChem (CID 91082350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).