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

C13H20N6O2 — CID 64512754

IUPACN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N(C)Cc2n[nH]c(C)n2)n1
InChIInChI=1S/C13H20N6O2/c1-4-5-10-15-12(21-18-10)6-7-13(20)19(3)8-11-14-9(2)16-17-11/h4-8H2,1-3H3,(H,14,16,17)
InChIKeyOZBKLFPMDRNLJP-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.04
Rot. Bonds7

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

N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 64512754) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID64512754
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC NameN-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCCCc1noc(CCC(=O)N(C)Cc2n[nH]c(C)n2)n1
InChIInChI=1S/C13H20N6O2/c1-4-5-10-15-12(21-18-10)6-7-13(20)19(3)8-11-14-9(2)16-17-11/h4-8H2,1-3H3,(H,14,16,17)
InChIKeyOZBKLFPMDRNLJP-UHFFFAOYSA-N
XLogP1.04
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide (CID 64512754) is N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is CCCc1noc(CCC(=O)N(C)Cc2n[nH]c(C)n2)n1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is OZBKLFPMDRNLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c1-4-5-10-15-12(21-18-10)6-7-13(20)19(3)8-11-14-9(2)16-17-11/h4-8H2,1-3H3,(H,14,16,17).
What are the key properties of N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide?
N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 292.34 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-3-(3-propyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 64512754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).