5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide

C15H12N6O4 — CID 91819192

IUPAC5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(-c2noc(CNC(=O)c3cc(-c4ccco4)[nH]n3)n2)no1
InChIInChI=1S/C15H12N6O4/c1-8-5-10(20-24-8)14-17-13(25-21-14)7-16-15(22)11-6-9(18-19-11)12-3-2-4-23-12/h2-6H,7H2,1H3,(H,16,22)(H,18,19)
InChIKeyZDNFULHFLSLKEQ-UHFFFAOYSA-N
MW340.30 g/mol
LogP1.95
Rot. Bonds5

About 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide

5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide (PubChem CID 91819192) has the molecular formula C15H12N6O4 and a molecular weight of 340.30 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide
PubChem CID91819192
Molecular FormulaC15H12N6O4
Molecular Weight340.30 g/mol
Exact Mass340.09
IUPAC Name5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(-c2noc(CNC(=O)c3cc(-c4ccco4)[nH]n3)n2)no1
InChIInChI=1S/C15H12N6O4/c1-8-5-10(20-24-8)14-17-13(25-21-14)7-16-15(22)11-6-9(18-19-11)12-3-2-4-23-12/h2-6H,7H2,1H3,(H,16,22)(H,18,19)
InChIKeyZDNFULHFLSLKEQ-UHFFFAOYSA-N
XLogP1.95
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide (CID 91819192) is 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide is Cc1cc(-c2noc(CNC(=O)c3cc(-c4ccco4)[nH]n3)n2)no1.
What is the InChIKey of 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide?
The InChIKey is ZDNFULHFLSLKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6O4/c1-8-5-10(20-24-8)14-17-13(25-21-14)7-16-15(22)11-6-9(18-19-11)12-3-2-4-23-12/h2-6H,7H2,1H3,(H,16,22)(H,18,19).
What are the key properties of 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide?
5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide has a molecular weight of 340.30 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 91819192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).