N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

C14H16N6O3 — CID 154750417

IUPACN-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C14H16N6O3/c1-8-6-7-10(22-8)13-17-14(19-18-13)16-11(21)4-3-5-12-15-9(2)20-23-12/h6-7H,3-5H2,1-2H3,(H2,16,17,18,19,21)
InChIKeyCLTDPTHMUVNZPK-UHFFFAOYSA-N
MW316.32 g/mol
LogP2.03
Rot. Bonds6

About N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide

N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 154750417) has the molecular formula C14H16N6O3 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound NameN-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
PubChem CID154750417
Molecular FormulaC14H16N6O3
Molecular Weight316.32 g/mol
Exact Mass316.13
IUPAC NameN-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide
SMILESCc1noc(CCCC(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)n1
InChIInChI=1S/C14H16N6O3/c1-8-6-7-10(22-8)13-17-14(19-18-13)16-11(21)4-3-5-12-15-9(2)20-23-12/h6-7H,3-5H2,1-2H3,(H2,16,17,18,19,21)
InChIKeyCLTDPTHMUVNZPK-UHFFFAOYSA-N
XLogP2.03
TPSA122.73 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide (CID 154750417) is N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is Cc1noc(CCCC(=O)Nc2n[nH]c(-c3ccc(C)o3)n2)n1.
What is the InChIKey of N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is CLTDPTHMUVNZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O3/c1-8-6-7-10(22-8)13-17-14(19-18-13)16-11(21)4-3-5-12-15-9(2)20-23-12/h6-7H,3-5H2,1-2H3,(H2,16,17,18,19,21).
What are the key properties of N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide?
N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 316.32 g/mol, XLogP of 2.03, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 154750417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).