N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide

C14H17N3O3S — CID 72848232

IUPACN-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOC1=O)N1CCSCC1
InChIInChI=1S/C14H17N3O3S/c18-13(16-6-9-21-10-7-16)15-11-3-1-2-4-12(11)17-5-8-20-14(17)19/h1-4H,5-10H2,(H,15,18)
InChIKeyKHDDXUSIGGMEFD-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.22
Rot. Bonds2

About N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide

N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide (PubChem CID 72848232) has the molecular formula C14H17N3O3S and a molecular weight of 307.37 g/mol. Its IUPAC name is N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
PubChem CID72848232
Molecular FormulaC14H17N3O3S
Molecular Weight307.37 g/mol
Exact Mass307.10
IUPAC NameN-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1ccccc1N1CCOC1=O)N1CCSCC1
InChIInChI=1S/C14H17N3O3S/c18-13(16-6-9-21-10-7-16)15-11-3-1-2-4-12(11)17-5-8-20-14(17)19/h1-4H,5-10H2,(H,15,18)
InChIKeyKHDDXUSIGGMEFD-UHFFFAOYSA-N
XLogP2.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide (CID 72848232) is N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide is O=C(Nc1ccccc1N1CCOC1=O)N1CCSCC1.
What is the InChIKey of N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide?
The InChIKey is KHDDXUSIGGMEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c18-13(16-6-9-21-10-7-16)15-11-3-1-2-4-12(11)17-5-8-20-14(17)19/h1-4H,5-10H2,(H,15,18).
What are the key properties of N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide?
N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide has a molecular weight of 307.37 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-oxo-1,3-oxazolidin-3-yl)phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 72848232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).