2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide

C18H16N4O3 — CID 90515066

IUPAC2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCc2ccncc2)co1)c1ccccc1
InChIInChI=1S/C18H16N4O3/c23-16(14-4-2-1-3-5-14)22-18-21-15(12-25-18)17(24)20-11-8-13-6-9-19-10-7-13/h1-7,9-10,12H,8,11H2,(H,20,24)(H,21,22,23)
InChIKeyMGHJUGFMUMVKHG-UHFFFAOYSA-N
MW336.35 g/mol
LogP2.29
Rot. Bonds6

About 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide

2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide (PubChem CID 90515066) has the molecular formula C18H16N4O3 and a molecular weight of 336.35 g/mol. Its IUPAC name is 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
PubChem CID90515066
Molecular FormulaC18H16N4O3
Molecular Weight336.35 g/mol
Exact Mass336.12
IUPAC Name2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1nc(C(=O)NCCc2ccncc2)co1)c1ccccc1
InChIInChI=1S/C18H16N4O3/c23-16(14-4-2-1-3-5-14)22-18-21-15(12-25-18)17(24)20-11-8-13-6-9-19-10-7-13/h1-7,9-10,12H,8,11H2,(H,20,24)(H,21,22,23)
InChIKeyMGHJUGFMUMVKHG-UHFFFAOYSA-N
XLogP2.29
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxylic acid
CID 91669614
2-amino-N-(2-phenylethyl)-1,3-oxazole-4-carboxamide
CID 110852301
2-benzamido-N-[2-(6-oxopyridazin-1-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 90515068
N-[2-(4-chlorophenyl)ethyl]-2-(furan-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 90515222
5-(2-pyridin-4-ylethylcarbamoyl)furan-3-carboxylic acid
CID 104607208
2-benzamido-N-cyclohexyl-1,3-oxazole-4-carboxamide
CID 90514925
2-benzamido-N-(3,4-difluorophenyl)-1,3-oxazole-4-carboxamide
CID 52907899
N-cycloheptyl-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
CID 72717053
2-benzamido-N-(3-bromophenyl)-1,3-oxazole-4-carboxamide
CID 90514961
N-(2-phenylethyl)-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135231352
N-[(2-morpholin-4-yl-4-pyridinyl)methyl]-2-(pyridine-4-carbonylamino)-1,3-oxazole-4-carboxamide
CID 72717065
6-oxo-N-(2-pyridin-4-ylethyl)pyran-3-carboxamide
CID 45497150

Frequently Asked Questions

What is the IUPAC name of 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide (CID 90515066) is 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1nc(C(=O)NCCc2ccncc2)co1)c1ccccc1.
What is the InChIKey of 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is MGHJUGFMUMVKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3/c23-16(14-4-2-1-3-5-14)22-18-21-15(12-25-18)17(24)20-11-8-13-6-9-19-10-7-13/h1-7,9-10,12H,8,11H2,(H,20,24)(H,21,22,23).
What are the key properties of 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide?
2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 336.35 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzamido-N-(2-pyridin-4-ylethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 90515066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).