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

C11H16N6O2 — CID 64510646

IUPACN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1noc(CCC(=O)N(C)Cc2n[nH]c(C)n2)n1
InChIInChI=1S/C11H16N6O2/c1-7-12-9(15-14-7)6-17(3)11(18)5-4-10-13-8(2)16-19-10/h4-6H2,1-3H3,(H,12,14,15)
InChIKeyUBAVPHXZIDBDID-UHFFFAOYSA-N
MW264.29 g/mol
LogP0.40
Rot. Bonds5

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

N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (PubChem CID 64510646) has the molecular formula C11H16N6O2 and a molecular weight of 264.29 g/mol. Its IUPAC name is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.

Molecular Properties

Compound NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
PubChem CID64510646
Molecular FormulaC11H16N6O2
Molecular Weight264.29 g/mol
Exact Mass264.13
IUPAC NameN-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide
SMILESCc1noc(CCC(=O)N(C)Cc2n[nH]c(C)n2)n1
InChIInChI=1S/C11H16N6O2/c1-7-12-9(15-14-7)6-17(3)11(18)5-4-10-13-8(2)16-19-10/h4-6H2,1-3H3,(H,12,14,15)
InChIKeyUBAVPHXZIDBDID-UHFFFAOYSA-N
XLogP0.40
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The IUPAC name of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide (CID 64510646) is N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide.
What is the SMILES notation for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The canonical SMILES for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is Cc1noc(CCC(=O)N(C)Cc2n[nH]c(C)n2)n1.
What is the InChIKey of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
The InChIKey is UBAVPHXZIDBDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O2/c1-7-12-9(15-14-7)6-17(3)11(18)5-4-10-13-8(2)16-19-10/h4-6H2,1-3H3,(H,12,14,15).
What are the key properties of N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide?
N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide has a molecular weight of 264.29 g/mol, XLogP of 0.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]propanamide is sourced from PubChem (CID 64510646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).