N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

C12H11N5O4 — CID 45497116

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C12H11N5O4/c1-17-6-7(10(16-17)19-2)9(18)13-12-15-14-11(21-12)8-4-3-5-20-8/h3-6H,1-2H3,(H,13,15,18)
InChIKeyBQEDFPMKTMRFDR-UHFFFAOYSA-N
MW289.25 g/mol
LogP1.32
Rot. Bonds4

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (PubChem CID 45497116) has the molecular formula C12H11N5O4 and a molecular weight of 289.25 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
PubChem CID45497116
Molecular FormulaC12H11N5O4
Molecular Weight289.25 g/mol
Exact Mass289.08
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
SMILESCOc1nn(C)cc1C(=O)Nc1nnc(-c2ccco2)o1
InChIInChI=1S/C12H11N5O4/c1-17-6-7(10(16-17)19-2)9(18)13-12-15-14-11(21-12)8-4-3-5-20-8/h3-6H,1-2H3,(H,13,15,18)
InChIKeyBQEDFPMKTMRFDR-UHFFFAOYSA-N
XLogP1.32
TPSA108.21 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide (CID 45497116) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is COc1nn(C)cc1C(=O)Nc1nnc(-c2ccco2)o1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
The InChIKey is BQEDFPMKTMRFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N5O4/c1-17-6-7(10(16-17)19-2)9(18)13-12-15-14-11(21-12)8-4-3-5-20-8/h3-6H,1-2H3,(H,13,15,18).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide has a molecular weight of 289.25 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methoxy-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 45497116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).