5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

C20H22ClN5O3S — CID 74930587

IUPAC5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCC1=NN(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CCN1C
InChIInChI=1S/C20H22ClN5O3S/c1-13-23-26(10-9-24(13)2)15-5-3-14(4-6-15)25-12-16(29-20(25)28)11-22-19(27)17-7-8-18(21)30-17/h3-8,16H,9-12H2,1-2H3,(H,22,27)
InChIKeyOFBIYUXAWCGHEF-UHFFFAOYSA-N
MW447.95 g/mol
LogP3.24
Rot. Bonds5

About 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 74930587) has the molecular formula C20H22ClN5O3S and a molecular weight of 447.95 g/mol. Its IUPAC name is 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
PubChem CID74930587
Molecular FormulaC20H22ClN5O3S
Molecular Weight447.95 g/mol
Exact Mass447.11
IUPAC Name5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
SMILESCC1=NN(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CCN1C
InChIInChI=1S/C20H22ClN5O3S/c1-13-23-26(10-9-24(13)2)15-5-3-14(4-6-15)25-12-16(29-20(25)28)11-22-19(27)17-7-8-18(21)30-17/h3-8,16H,9-12H2,1-2H3,(H,22,27)
InChIKeyOFBIYUXAWCGHEF-UHFFFAOYSA-N
XLogP3.24
TPSA77.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.95
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide 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

5-chloro-N-[[3-[4-(1,3-dimethyl-5,6-dihydro-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 74930689
5-chloro-N-[[(5S)-2-oxo-3-(4-pyrrolidin-1-ylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10158209
5-chloro-N-[[(5S)-3-[4-(1-methyl-5,6-dihydro-4H-pyrimidin-2-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 25114063
5-chloro-N-[[3-[4-(methoxyamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 142207900
5-chloro-N-[[(5S)-2-oxo-3-[4-(2-oxopyrrolidin-1-yl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 10202260
5-chloro-N-[[3-[4-(5,6-dihydro-2H-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 66892669
5-chloro-N-[[3-[4-(5,6-dihydro-1H-1,2,4-triazin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 74930687
5-chloro-N-[[(5S)-3-[4-[4-(4-hydroxybutanoyl)-5,6-dihydro-1,2,4-triazin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 69257351
5-chloro-N-[[(5S)-3-[4-(dimethylsulfamoyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 57496659
5-chloro-N-[[3-[4-(2-hydroxyethylamino)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 72539282
5-chloro-N-[[2-oxo-3-[4-(2-oxo-1-pyridinyl)phenyl]-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
CID 58618158
N-[[3-[4-[(carbamoylamino)methyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-5-chlorothiophene-2-carboxamide
CID 21070785

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide (CID 74930587) is 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is CC1=NN(c2ccc(N3CC(CNC(=O)c4ccc(Cl)s4)OC3=O)cc2)CCN1C.
What is the InChIKey of 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is OFBIYUXAWCGHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22ClN5O3S/c1-13-23-26(10-9-24(13)2)15-5-3-14(4-6-15)25-12-16(29-20(25)28)11-22-19(27)17-7-8-18(21)30-17/h3-8,16H,9-12H2,1-2H3,(H,22,27).
What are the key properties of 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 447.95 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[[3-[4-(3,4-dimethyl-5,6-dihydro-1,2,4-triazin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 74930587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).