5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide

C14H15N7O4S — CID 71788516

IUPAC5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C(=O)NCCSc3nncn3C)co2)no1
InChIInChI=1S/C14H15N7O4S/c1-8-5-9(20-25-8)12(23)18-13-17-10(6-24-13)11(22)15-3-4-26-14-19-16-7-21(14)2/h5-7H,3-4H2,1-2H3,(H,15,22)(H,17,18,23)
InChIKeyDIVDRIVVUJDNAK-UHFFFAOYSA-N
MW377.39 g/mol
LogP0.87
Rot. Bonds7

About 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide

5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 71788516) has the molecular formula C14H15N7O4S and a molecular weight of 377.39 g/mol. Its IUPAC name is 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID71788516
Molecular FormulaC14H15N7O4S
Molecular Weight377.39 g/mol
Exact Mass377.09
IUPAC Name5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)Nc2nc(C(=O)NCCSc3nncn3C)co2)no1
InChIInChI=1S/C14H15N7O4S/c1-8-5-9(20-25-8)12(23)18-13-17-10(6-24-13)11(22)15-3-4-26-14-19-16-7-21(14)2/h5-7H,3-4H2,1-2H3,(H,15,22)(H,17,18,23)
InChIKeyDIVDRIVVUJDNAK-UHFFFAOYSA-N
XLogP0.87
TPSA140.97 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.39
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide (CID 71788516) is 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)Nc2nc(C(=O)NCCSc3nncn3C)co2)no1.
What is the InChIKey of 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is DIVDRIVVUJDNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7O4S/c1-8-5-9(20-25-8)12(23)18-13-17-10(6-24-13)11(22)15-3-4-26-14-19-16-7-21(14)2/h5-7H,3-4H2,1-2H3,(H,15,22)(H,17,18,23).
What are the key properties of 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 377.39 g/mol, XLogP of 0.87, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[4-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethylcarbamoyl]-1,3-oxazol-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71788516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).