N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide

C20H16N4O3 — CID 42516268

IUPACN-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1coc(COc2cccc3cccnc23)n1
InChIInChI=1S/C20H16N4O3/c25-20(23-11-14-4-2-8-21-10-14)16-12-27-18(24-16)13-26-17-7-1-5-15-6-3-9-22-19(15)17/h1-10,12H,11,13H2,(H,23,25)
InChIKeyZKGIPWYGCJVVAI-UHFFFAOYSA-N
MW360.37 g/mol
LogP3.13
Rot. Bonds6

About N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide

N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 42516268) has the molecular formula C20H16N4O3 and a molecular weight of 360.37 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID42516268
Molecular FormulaC20H16N4O3
Molecular Weight360.37 g/mol
Exact Mass360.12
IUPAC NameN-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(NCc1cccnc1)c1coc(COc2cccc3cccnc23)n1
InChIInChI=1S/C20H16N4O3/c25-20(23-11-14-4-2-8-21-10-14)16-12-27-18(24-16)13-26-17-7-1-5-15-6-3-9-22-19(15)17/h1-10,12H,11,13H2,(H,23,25)
InChIKeyZKGIPWYGCJVVAI-UHFFFAOYSA-N
XLogP3.13
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.37
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[[2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carbonyl]amino]propanoate
CID 26406157
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200568
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42595551
N-(oxan-2-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45251660
N-[[(2R)-2-methyloxolan-2-yl]methyl]-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 95200229
5-(naphthalen-1-yloxymethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 2166258
2-(isoquinolin-5-yloxymethyl)-N-prop-2-enyl-1,3-oxazole-4-carboxamide
CID 42288089
N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 56723626
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
2-phenyl-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 166211099
2-[(4-methyl-1,3-benzoxazol-2-yl)sulfanylmethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 1200755
2-(isoquinolin-5-yloxymethyl)-N-[2-(3-methyl-2-pyridinyl)ethyl]-1,3-oxazole-4-carboxamide
CID 42198455

Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 42516268) is N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is O=C(NCc1cccnc1)c1coc(COc2cccc3cccnc23)n1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is ZKGIPWYGCJVVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O3/c25-20(23-11-14-4-2-8-21-10-14)16-12-27-18(24-16)13-26-17-7-1-5-15-6-3-9-22-19(15)17/h1-10,12H,11,13H2,(H,23,25).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide?
N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 360.37 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(quinolin-8-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42516268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).