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

C15H19N3O3S — CID 47039670

IUPACN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCOC2=O)c1)N1CCSCC1
InChIInChI=1S/C15H19N3O3S/c19-14(17-5-8-22-9-6-17)16-13-3-1-2-12(10-13)11-18-4-7-21-15(18)20/h1-3,10H,4-9,11H2,(H,16,19)
InChIKeyRRBBIKXZRJLRSC-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.22
Rot. Bonds3

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

N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide (PubChem CID 47039670) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide.

Molecular Properties

Compound NameN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide
PubChem CID47039670
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC NameN-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide
SMILESO=C(Nc1cccc(CN2CCOC2=O)c1)N1CCSCC1
InChIInChI=1S/C15H19N3O3S/c19-14(17-5-8-22-9-6-17)16-13-3-1-2-12(10-13)11-18-4-7-21-15(18)20/h1-3,10H,4-9,11H2,(H,16,19)
InChIKeyRRBBIKXZRJLRSC-UHFFFAOYSA-N
XLogP2.22
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
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-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide?
The IUPAC name of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide (CID 47039670) is N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide.
What is the SMILES notation for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide?
The canonical SMILES for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide is O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCSCC1.
What is the InChIKey of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide?
The InChIKey is RRBBIKXZRJLRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c19-14(17-5-8-22-9-6-17)16-13-3-1-2-12(10-13)11-18-4-7-21-15(18)20/h1-3,10H,4-9,11H2,(H,16,19).
What are the key properties of N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide?
N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide has a molecular weight of 321.40 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-oxo-1,3-oxazolidin-3-yl)methyl]phenyl]thiomorpholine-4-carboxamide is sourced from PubChem (CID 47039670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).