2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide

C14H14N6O4S — CID 90515091

IUPAC2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCn1cnnc1SCCNC(=O)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C14H14N6O4S/c1-20-8-16-19-14(20)25-6-4-15-11(21)9-7-24-13(17-9)18-12(22)10-3-2-5-23-10/h2-3,5,7-8H,4,6H2,1H3,(H,15,21)(H,17,18,22)
InChIKeyNRTSWWJBVFUNPP-UHFFFAOYSA-N
MW362.37 g/mol
LogP1.17
Rot. Bonds7

About 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide

2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide (PubChem CID 90515091) has the molecular formula C14H14N6O4S and a molecular weight of 362.37 g/mol. Its IUPAC name is 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
PubChem CID90515091
Molecular FormulaC14H14N6O4S
Molecular Weight362.37 g/mol
Exact Mass362.08
IUPAC Name2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide
SMILESCn1cnnc1SCCNC(=O)c1coc(NC(=O)c2ccco2)n1
InChIInChI=1S/C14H14N6O4S/c1-20-8-16-19-14(20)25-6-4-15-11(21)9-7-24-13(17-9)18-12(22)10-3-2-5-23-10/h2-3,5,7-8H,4,6H2,1H3,(H,15,21)(H,17,18,22)
InChIKeyNRTSWWJBVFUNPP-UHFFFAOYSA-N
XLogP1.17
TPSA128.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.37
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

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
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
2-(furan-2-carbonylamino)-N-[2-(3-methoxyphenyl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515219
2-(furan-2-carbonylamino)-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 90515122
N-[2-(4-fluorophenoxy)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515090
6-methoxy-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]pyridazine-3-carboxamide
CID 90509395
2-(furan-2-carbonylamino)-N-[(4-phenylmethoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 90515253
N-[4-(dimethylamino)phenyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515175
N-(3-acetylphenyl)-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907935
5-(furan-2-carbonylamino)-1-methyl-N-(2-phenylethyl)pyrazole-3-carboxamide
CID 51999001
N-[4-(4-methylsulfonylpiperazine-1-carbonyl)-1,3-oxazol-2-yl]furan-2-carboxamide
CID 52907954
N-[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515250

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide (CID 90515091) is 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide is Cn1cnnc1SCCNC(=O)c1coc(NC(=O)c2ccco2)n1.
What is the InChIKey of 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide?
The InChIKey is NRTSWWJBVFUNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O4S/c1-20-8-16-19-14(20)25-6-4-15-11(21)9-7-24-13(17-9)18-12(22)10-3-2-5-23-10/h2-3,5,7-8H,4,6H2,1H3,(H,15,21)(H,17,18,22).
What are the key properties of 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide?
2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide has a molecular weight of 362.37 g/mol, XLogP of 1.17, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonylamino)-N-[2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).