3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

C15H18N4O2S — CID 97333757

IUPAC3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1nnc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)s1
InChIInChI=1S/C15H18N4O2S/c1-10(16-9-14-18-17-11(2)22-14)12-4-3-5-13(8-12)19-6-7-21-15(19)20/h3-5,8,10,16H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyMOQOFGWIPUUHQK-JTQLQIEISA-N
MW318.40 g/mol
LogP2.65
Rot. Bonds5

About 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one

3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 97333757) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID97333757
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one
SMILESCc1nnc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)s1
InChIInChI=1S/C15H18N4O2S/c1-10(16-9-14-18-17-11(2)22-14)12-4-3-5-13(8-12)19-6-7-21-15(19)20/h3-5,8,10,16H,6-7,9H2,1-2H3/t10-/m0/s1
InChIKeyMOQOFGWIPUUHQK-JTQLQIEISA-N
XLogP2.65
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one (CID 97333757) is 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is Cc1nnc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)s1.
What is the InChIKey of 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is MOQOFGWIPUUHQK-JTQLQIEISA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-10(16-9-14-18-17-11(2)22-14)12-4-3-5-13(8-12)19-6-7-21-15(19)20/h3-5,8,10,16H,6-7,9H2,1-2H3/t10-/m0/s1.
What are the key properties of 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one?
3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 318.40 g/mol, XLogP of 2.65, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(1S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methylamino]ethyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 97333757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).