N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide

C18H18N4O2 — CID 110391082

IUPACN-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(-c2nnc(C(=O)N(C)CCc3ccncc3)o2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-3-5-15(6-4-13)16-20-21-17(24-16)18(23)22(2)12-9-14-7-10-19-11-8-14/h3-8,10-11H,9,12H2,1-2H3
InChIKeyQTWHUERPQYUCDS-UHFFFAOYSA-N
MW322.37 g/mol
LogP2.75
Rot. Bonds5

About N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide

N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide (PubChem CID 110391082) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
PubChem CID110391082
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC NameN-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide
SMILESCc1ccc(-c2nnc(C(=O)N(C)CCc3ccncc3)o2)cc1
InChIInChI=1S/C18H18N4O2/c1-13-3-5-15(6-4-13)16-20-21-17(24-16)18(23)22(2)12-9-14-7-10-19-11-8-14/h3-8,10-11H,9,12H2,1-2H3
InChIKeyQTWHUERPQYUCDS-UHFFFAOYSA-N
XLogP2.75
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The IUPAC name of N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide (CID 110391082) is N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide.
What is the SMILES notation for N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The canonical SMILES for N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide is Cc1ccc(-c2nnc(C(=O)N(C)CCc3ccncc3)o2)cc1.
What is the InChIKey of N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
The InChIKey is QTWHUERPQYUCDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-13-3-5-15(6-4-13)16-20-21-17(24-16)18(23)22(2)12-9-14-7-10-19-11-8-14/h3-8,10-11H,9,12H2,1-2H3.
What are the key properties of N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide?
N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide has a molecular weight of 322.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-(4-methylphenyl)-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazole-2-carboxamide is sourced from PubChem (CID 110391082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).