(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one

C14H15N3O2S — CID 69364737

IUPAC(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc(N2C[C@H](Cn3cccn3)OC2=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-20-13-5-3-11(4-6-13)17-10-12(19-14(17)18)9-16-8-2-7-15-16/h2-8,12H,9-10H2,1H3/t12-/m0/s1
InChIKeyXEIJYKQYGVKEJF-LBPRGKRZSA-N
MW289.36 g/mol
LogP2.63
Rot. Bonds4

About (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 69364737) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID69364737
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc(N2C[C@H](Cn3cccn3)OC2=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-20-13-5-3-11(4-6-13)17-10-12(19-14(17)18)9-16-8-2-7-15-16/h2-8,12H,9-10H2,1H3/t12-/m0/s1
InChIKeyXEIJYKQYGVKEJF-LBPRGKRZSA-N
XLogP2.63
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 69364312
5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 117063689
3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(tetrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 129071148
tris(N-[[(5S)-3-(3,5-difluoro-4-methylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide);(5R)-3-(3,5-difluoro-4-methylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 160853347
3-(4-pyridin-3-ylphenyl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69242871
[[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-methylsulfanylmethylidene]azanium
CID 59988988
(5S)-3-phenyl-5-[(5-pyridin-4-ylpyrazol-1-yl)methyl]-1,3-oxazolidin-2-one
CID 99855665
1-(4-methylsulfanylphenyl)-5-oxo-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidine-3-carboxamide
CID 42944485
5-[(5-methyltetrazol-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 86792135
5-[(3-methyl-6-oxopyridazin-1-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
CID 86795311
(5R)-3-(1-methylindazol-5-yl)-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 24738079
1-[4-[(5R)-2-oxo-5-(1,2,4-triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 10215013

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 69364737) is (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one is CSc1ccc(N2C[C@H](Cn3cccn3)OC2=O)cc1.
What is the InChIKey of (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is XEIJYKQYGVKEJF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-20-13-5-3-11(4-6-13)17-10-12(19-14(17)18)9-16-8-2-7-15-16/h2-8,12H,9-10H2,1H3/t12-/m0/s1.
What are the key properties of (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one?
(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 289.36 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69364737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).