(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one

C14H15N3O2S — CID 69364312

IUPAC(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc(N2C[C@H](Cn3ccnc3)OC2=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-20-13-4-2-11(3-5-13)17-9-12(19-14(17)18)8-16-7-6-15-10-16/h2-7,10,12H,8-9H2,1H3/t12-/m0/s1
InChIKeyUYDRKFLYWRLHCY-LBPRGKRZSA-N
MW289.36 g/mol
LogP2.63
Rot. Bonds4

About (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one

(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one (PubChem CID 69364312) has the molecular formula C14H15N3O2S and a molecular weight of 289.36 g/mol. Its IUPAC name is (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
PubChem CID69364312
Molecular FormulaC14H15N3O2S
Molecular Weight289.36 g/mol
Exact Mass289.09
IUPAC Name(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
SMILESCSc1ccc(N2C[C@H](Cn3ccnc3)OC2=O)cc1
InChIInChI=1S/C14H15N3O2S/c1-20-13-4-2-11(3-5-13)17-9-12(19-14(17)18)8-16-7-6-15-10-16/h2-7,10,12H,8-9H2,1H3/t12-/m0/s1
InChIKeyUYDRKFLYWRLHCY-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

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Related Compounds

(5R)-3-(4-methylsulfanylphenyl)-5-(pyrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 69364737
1-[4-[5-(imidazol-1-ylmethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carbonitrile
CID 23441529
5-(2-hydroxyethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one
CID 117063689
3-[3-fluoro-4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 71740834
N-[[(5S)-3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]imidazole-1-carboxamide
CID 129071224
ethane;N-[[3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]imidazole-1-carboxamide
CID 145297554
3-[3-fluoro-4-(4-methylsulfanylphenyl)phenyl]-5-(tetrazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 129071148
(5R)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)phenyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 11690245
5-(imidazol-1-ylmethyl)-1,3-oxazolidin-2-one
CID 23548103
(5R)-5-(hydroxymethyl)-3-pyridin-4-yl-1,3-oxazolidin-2-one
CID 115056906
5-(aminomethyl)-3-(3-fluoro-4-imidazol-1-ylphenyl)-1,3-oxazolidin-2-one
CID 85281072
N-[[(5S)-3-[3-fluoro-4-[4-(imidazol-1-ylmethyl)-4-oxo-1,4λ5-azaphosphinan-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25006419

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one (CID 69364312) is (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one is CSc1ccc(N2C[C@H](Cn3ccnc3)OC2=O)cc1.
What is the InChIKey of (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is UYDRKFLYWRLHCY-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H15N3O2S/c1-20-13-4-2-11(3-5-13)17-9-12(19-14(17)18)8-16-7-6-15-10-16/h2-7,10,12H,8-9H2,1H3/t12-/m0/s1.
What are the key properties of (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one?
(5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-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 (5S)-5-(imidazol-1-ylmethyl)-3-(4-methylsulfanylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69364312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).