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

C18H18ClN5O3S — CID 74930687

IUPAC5-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
SMILESO=C(NCC1CN(c2ccc(N3C=NNCC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C18H18ClN5O3S/c19-16-6-5-15(28-16)17(25)20-9-14-10-24(18(26)27-14)13-3-1-12(2-4-13)23-8-7-21-22-11-23/h1-6,11,14,21H,7-10H2,(H,20,25)
InChIKeyGKFMCKDMHYBFDS-UHFFFAOYSA-N
MW419.89 g/mol
LogP2.51
Rot. Bonds5

About 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

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 (PubChem CID 74930687) has the molecular formula C18H18ClN5O3S and a molecular weight of 419.89 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name5-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
PubChem CID74930687
Molecular FormulaC18H18ClN5O3S
Molecular Weight419.89 g/mol
Exact Mass419.08
IUPAC Name5-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
SMILESO=C(NCC1CN(c2ccc(N3C=NNCC3)cc2)C(=O)O1)c1ccc(Cl)s1
InChIInChI=1S/C18H18ClN5O3S/c19-16-6-5-15(28-16)17(25)20-9-14-10-24(18(26)27-14)13-3-1-12(2-4-13)23-8-7-21-22-11-23/h1-6,11,14,21H,7-10H2,(H,20,25)
InChIKeyGKFMCKDMHYBFDS-UHFFFAOYSA-N
XLogP2.51
TPSA86.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.89
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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5-chloro-N-[[2-oxo-3-(4-piperazin-1-ylsulfonylphenyl)-1,3-oxazolidin-5-yl]methyl]thiophene-2-carboxamide
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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
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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
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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is O=C(NCC1CN(c2ccc(N3C=NNCC3)cc2)C(=O)O1)c1ccc(Cl)s1.
What is the InChIKey of 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?
The InChIKey is GKFMCKDMHYBFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O3S/c19-16-6-5-15(28-16)17(25)20-9-14-10-24(18(26)27-14)13-3-1-12(2-4-13)23-8-7-21-22-11-23/h1-6,11,14,21H,7-10H2,(H,20,25).
What are the key properties of 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?
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 has a molecular weight of 419.89 g/mol, XLogP of 2.51, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 74930687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).