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

C16H18N6O2 — CID 70788852

IUPACN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)c1nc(CN(C)C(=O)c2ccc(-c3ncn[nH]3)cc2)no1
InChIInChI=1S/C16H18N6O2/c1-10(2)15-19-13(21-24-15)8-22(3)16(23)12-6-4-11(5-7-12)14-17-9-18-20-14/h4-7,9-10H,8H2,1-3H3,(H,17,18,20)
InChIKeySVDPDKDKVHMSIP-UHFFFAOYSA-N
MW326.36 g/mol
LogP2.25
Rot. Bonds5

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

N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 70788852) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID70788852
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC NameN-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCC(C)c1nc(CN(C)C(=O)c2ccc(-c3ncn[nH]3)cc2)no1
InChIInChI=1S/C16H18N6O2/c1-10(2)15-19-13(21-24-15)8-22(3)16(23)12-6-4-11(5-7-12)14-17-9-18-20-14/h4-7,9-10H,8H2,1-3H3,(H,17,18,20)
InChIKeySVDPDKDKVHMSIP-UHFFFAOYSA-N
XLogP2.25
TPSA100.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 52.25
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-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide (CID 70788852) is N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide is CC(C)c1nc(CN(C)C(=O)c2ccc(-c3ncn[nH]3)cc2)no1.
What is the InChIKey of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is SVDPDKDKVHMSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c1-10(2)15-19-13(21-24-15)8-22(3)16(23)12-6-4-11(5-7-12)14-17-9-18-20-14/h4-7,9-10H,8H2,1-3H3,(H,17,18,20).
What are the key properties of N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide?
N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 326.36 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-4-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 70788852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).