N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide

C12H12N6O3 — CID 86263614

IUPACN-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide
SMILESCc1noc(-c2cn(CCNC(=O)c3ccco3)nn2)n1
InChIInChI=1S/C12H12N6O3/c1-8-14-12(21-16-8)9-7-18(17-15-9)5-4-13-11(19)10-3-2-6-20-10/h2-3,6-7H,4-5H2,1H3,(H,13,19)
InChIKeyMRYVFTSWZQJHSH-UHFFFAOYSA-N
MW288.27 g/mol
LogP0.66
Rot. Bonds5

About N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide (PubChem CID 86263614) has the molecular formula C12H12N6O3 and a molecular weight of 288.27 g/mol. Its IUPAC name is N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide
PubChem CID86263614
Molecular FormulaC12H12N6O3
Molecular Weight288.27 g/mol
Exact Mass288.10
IUPAC NameN-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide
SMILESCc1noc(-c2cn(CCNC(=O)c3ccco3)nn2)n1
InChIInChI=1S/C12H12N6O3/c1-8-14-12(21-16-8)9-7-18(17-15-9)5-4-13-11(19)10-3-2-6-20-10/h2-3,6-7H,4-5H2,1H3,(H,13,19)
InChIKeyMRYVFTSWZQJHSH-UHFFFAOYSA-N
XLogP0.66
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide (CID 86263614) is N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide is Cc1noc(-c2cn(CCNC(=O)c3ccco3)nn2)n1.
What is the InChIKey of N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is MRYVFTSWZQJHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N6O3/c1-8-14-12(21-16-8)9-7-18(17-15-9)5-4-13-11(19)10-3-2-6-20-10/h2-3,6-7H,4-5H2,1H3,(H,13,19).
What are the key properties of N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 288.27 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)triazol-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 86263614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).