5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one

C13H15N5O2S — CID 45353728

IUPAC5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(-c2nnc(SCC3CNC(=O)O3)n2N)cc1
InChIInChI=1S/C13H15N5O2S/c1-8-2-4-9(5-3-8)11-16-17-12(18(11)14)21-7-10-6-15-13(19)20-10/h2-5,10H,6-7,14H2,1H3,(H,15,19)
InChIKeyZYYNOSYMQRNDNT-UHFFFAOYSA-N
MW305.36 g/mol
LogP1.17
Rot. Bonds4

About 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one

5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one (PubChem CID 45353728) has the molecular formula C13H15N5O2S and a molecular weight of 305.36 g/mol. Its IUPAC name is 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
PubChem CID45353728
Molecular FormulaC13H15N5O2S
Molecular Weight305.36 g/mol
Exact Mass305.09
IUPAC Name5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(-c2nnc(SCC3CNC(=O)O3)n2N)cc1
InChIInChI=1S/C13H15N5O2S/c1-8-2-4-9(5-3-8)11-16-17-12(18(11)14)21-7-10-6-15-13(19)20-10/h2-5,10H,6-7,14H2,1H3,(H,15,19)
InChIKeyZYYNOSYMQRNDNT-UHFFFAOYSA-N
XLogP1.17
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.36
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(5S)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
CID 95271782
(5R)-5-[(1-cyclopropyl-5-phenylimidazol-2-yl)sulfanylmethyl]-1,3-oxazolidin-2-one
CID 95271783
3-[(5-methyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 9408316
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-hydroxypyran-4-one
CID 118704739
5-[(4-chlorophenyl)sulfanylmethyl]-1,3-oxazolidin-2-one
CID 138992698
3-[2-[[4-amino-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethylsulfanyl]-5-(4-methoxyphenyl)-1,2,4-triazol-4-amine
CID 139224320
4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzamide
CID 27349523
2-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclohexyl]acetamide
CID 1233840
3-[2-(4-methoxyphenyl)ethylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 2662526
3-[2-(4-methoxyphenoxy)ethylsulfanyl]-5-(4-methylphenyl)-1,2,4-triazol-4-amine
CID 2659128
4-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoic acid
CID 933498
3-(4-methoxyphenyl)-5-[2-(4-methylphenoxy)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 2524673

Frequently Asked Questions

What is the IUPAC name of 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one (CID 45353728) is 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one is Cc1ccc(-c2nnc(SCC3CNC(=O)O3)n2N)cc1.
What is the InChIKey of 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
The InChIKey is ZYYNOSYMQRNDNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O2S/c1-8-2-4-9(5-3-8)11-16-17-12(18(11)14)21-7-10-6-15-13(19)20-10/h2-5,10H,6-7,14H2,1H3,(H,15,19).
What are the key properties of 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one?
5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one has a molecular weight of 305.36 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-amino-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 45353728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).