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

C16H18N6O2 — CID 51101132

IUPACN-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C16H18N6O2/c1-11-5-3-4-6-12(11)9-22(2)14(23)8-7-13-19-16(21-24-13)15-17-10-18-20-15/h3-6,10H,7-9H2,1-2H3,(H,17,18,20)
InChIKeyNBGZHDMSJUITII-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.75
Rot. Bonds6

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

N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide (PubChem CID 51101132) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide.

Molecular Properties

Compound NameN-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
PubChem CID51101132
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide
SMILESCc1ccccc1CN(C)C(=O)CCc1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C16H18N6O2/c1-11-5-3-4-6-12(11)9-22(2)14(23)8-7-13-19-16(21-24-13)15-17-10-18-20-15/h3-6,10H,7-9H2,1-2H3,(H,17,18,20)
InChIKeyNBGZHDMSJUITII-UHFFFAOYSA-N
XLogP1.75
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The IUPAC name of N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide (CID 51101132) is N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide.
What is the SMILES notation for N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The canonical SMILES for N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide is Cc1ccccc1CN(C)C(=O)CCc1nc(-c2ncn[nH]2)no1.
What is the InChIKey of N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
The InChIKey is NBGZHDMSJUITII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-11-5-3-4-6-12(11)9-22(2)14(23)8-7-13-19-16(21-24-13)15-17-10-18-20-15/h3-6,10H,7-9H2,1-2H3,(H,17,18,20).
What are the key properties of N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide?
N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide has a molecular weight of 326.36 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methylphenyl)methyl]-3-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propanamide is sourced from PubChem (CID 51101132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).