(5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one

C18H21N5O3 — CID 58361773

IUPAC(5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(N3C[C@H](CCc4ccon4)OC3=O)cc2)C=N1
InChIInChI=1S/C18H21N5O3/c1-21-9-10-22(13-19-21)15-3-5-16(6-4-15)23-12-17(26-18(23)24)7-2-14-8-11-25-20-14/h3-6,8,11,13,17H,2,7,9-10,12H2,1H3/t17-/m0/s1
InChIKeyDYXZRROTTUVHAY-KRWDZBQOSA-N
MW355.40 g/mol
LogP2.33
Rot. Bonds5

About (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one

(5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one (PubChem CID 58361773) has the molecular formula C18H21N5O3 and a molecular weight of 355.40 g/mol. Its IUPAC name is (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
PubChem CID58361773
Molecular FormulaC18H21N5O3
Molecular Weight355.40 g/mol
Exact Mass355.16
IUPAC Name(5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
SMILESCN1CCN(c2ccc(N3C[C@H](CCc4ccon4)OC3=O)cc2)C=N1
InChIInChI=1S/C18H21N5O3/c1-21-9-10-22(13-19-21)15-3-5-16(6-4-15)23-12-17(26-18(23)24)7-2-14-8-11-25-20-14/h3-6,8,11,13,17H,2,7,9-10,12H2,1H3/t17-/m0/s1
InChIKeyDYXZRROTTUVHAY-KRWDZBQOSA-N
XLogP2.33
TPSA74.41 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

dimethyl sulfate;(5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(3-oxobutyl)-1,3-oxazolidin-2-one;4-[4-[(5S)-2-oxo-5-(3-oxobutyl)-1,3-oxazolidin-3-yl]phenyl]-5,6-dihydro-1,2,4-triazine-1-carbaldehyde
CID 159750438
(5S)-3-[4-[6-[1-(2-aminoacetyl)-5,6-dihydro-1,2,4-triazin-4-yl]-3-pyridinyl]-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
CID 162146765
(2-chloro-2-oxoethyl) acetate;(5S)-3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one
CID 123858796
N-[[3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 74951064
(5R)-3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;methane;methanol
CID 161164741
N-[4-[2-fluoro-4-[(5S)-5-[2-(1,2-oxazol-3-yl)ethyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-1-oxo-3,6-dihydro-2H-thiopyran-1-ylidene]-2-hydroxyacetamide
CID 10226661
(5R)-5-(azidomethyl)-3-[4-(1,2-oxazol-3-yl)phenyl]-1,3-oxazolidin-2-one
CID 86604589
(5R)-3-[4-(5,6-dihydro-1,2,4-oxadiazin-4-yl)phenyl]-5-(methylphosphanylmethyl)-1,3-oxazolidin-2-one
CID 58361736
[acetyl-[[3-[3-fluoro-4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]amino]phosphonic acid
CID 123472695
4-[4-[5-[[amino-[(Z)-2-aminoethenyl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]phenyl]-5,6-dihydro-1,2,4-triazine-1-carbaldehyde
CID 143963436
O-methyl N-[[(5S)-2-oxo-3-[4-(1-prop-2-ynyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]carbamothioate
CID 45139159
(5R)-3-(4-methylsulfonylphenyl)-5-(1,2-oxazol-3-yloxymethyl)-1,3-oxazolidin-2-one
CID 21356674

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one (CID 58361773) is (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one is CN1CCN(c2ccc(N3C[C@H](CCc4ccon4)OC3=O)cc2)C=N1.
What is the InChIKey of (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
The InChIKey is DYXZRROTTUVHAY-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H21N5O3/c1-21-9-10-22(13-19-21)15-3-5-16(6-4-15)23-12-17(26-18(23)24)7-2-14-8-11-25-20-14/h3-6,8,11,13,17H,2,7,9-10,12H2,1H3/t17-/m0/s1.
What are the key properties of (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one?
(5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one has a molecular weight of 355.40 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[4-(1-methyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-5-[2-(1,2-oxazol-3-yl)ethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 58361773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).