N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide

C20H18N6O3 — CID 121116107

IUPACN-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)c2cnc(-c3ccccc3)o2)c1=O
InChIInChI=1S/C20H18N6O3/c1-25-17(15-9-5-6-10-21-15)24-26(20(25)28)12-11-22-18(27)16-13-23-19(29-16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,27)
InChIKeyCDXNMTGIDQZPCO-UHFFFAOYSA-N
MW390.40 g/mol
LogP1.73
Rot. Bonds6

About N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide

N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide (PubChem CID 121116107) has the molecular formula C20H18N6O3 and a molecular weight of 390.40 g/mol. Its IUPAC name is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
PubChem CID121116107
Molecular FormulaC20H18N6O3
Molecular Weight390.40 g/mol
Exact Mass390.14
IUPAC NameN-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide
SMILESCn1c(-c2ccccn2)nn(CCNC(=O)c2cnc(-c3ccccc3)o2)c1=O
InChIInChI=1S/C20H18N6O3/c1-25-17(15-9-5-6-10-21-15)24-26(20(25)28)12-11-22-18(27)16-13-23-19(29-16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,27)
InChIKeyCDXNMTGIDQZPCO-UHFFFAOYSA-N
XLogP1.73
TPSA107.84 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide (CID 121116107) is N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide is Cn1c(-c2ccccn2)nn(CCNC(=O)c2cnc(-c3ccccc3)o2)c1=O.
What is the InChIKey of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide?
The InChIKey is CDXNMTGIDQZPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O3/c1-25-17(15-9-5-6-10-21-15)24-26(20(25)28)12-11-22-18(27)16-13-23-19(29-16)14-7-3-2-4-8-14/h2-10,13H,11-12H2,1H3,(H,22,27).
What are the key properties of N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide?
N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide has a molecular weight of 390.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]-2-phenyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 121116107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).