N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide

C22H20N4O3 — CID 45209690

IUPACN-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1coc(COc2ccc3ncccc3c2)n1
InChIInChI=1S/C22H20N4O3/c1-15(11-17-6-2-3-9-23-17)25-22(27)20-13-29-21(26-20)14-28-18-7-8-19-16(12-18)5-4-10-24-19/h2-10,12-13,15H,11,14H2,1H3,(H,25,27)
InChIKeyKOAMSJCKVVXYMJ-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.56
Rot. Bonds7

About N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide

N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 45209690) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID45209690
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
SMILESCC(Cc1ccccn1)NC(=O)c1coc(COc2ccc3ncccc3c2)n1
InChIInChI=1S/C22H20N4O3/c1-15(11-17-6-2-3-9-23-17)25-22(27)20-13-29-21(26-20)14-28-18-7-8-19-16(12-18)5-4-10-24-19/h2-10,12-13,15H,11,14H2,1H3,(H,25,27)
InChIKeyKOAMSJCKVVXYMJ-UHFFFAOYSA-N
XLogP3.56
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-1-(4-methyl-1,3-thiazol-2-yl)ethyl]-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 42518962
2-(phenoxymethyl)-N-(1-pyrazin-2-ylpropan-2-yl)-1,3-oxazole-4-carboxamide
CID 45236623
2-[(4-fluorophenoxy)methyl]-N-[(2S)-1-(6-methyl-2-pyridinyl)propan-2-yl]-1,3-oxazole-4-carboxamide
CID 42512160
N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42593563
N-[(2R)-1-methoxypropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42460246
azocan-1-yl-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 25282286
[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]-thiomorpholin-4-ylmethanone
CID 42197710
2-[(4-methoxyphenoxy)methyl]-N-propan-2-yl-1,3-oxazole-4-carboxamide
CID 42526219
N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252294
2-(naphthalen-2-yloxymethyl)-1,3-oxazole-4-carboxylic acid
CID 82305472
(2-phenylazetidin-1-yl)-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56714015
[(1R,5S)-3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl]-[2-(quinolin-6-yloxymethyl)-1,3-oxazol-4-yl]methanone
CID 56722755

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide (CID 45209690) is N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide is CC(Cc1ccccn1)NC(=O)c1coc(COc2ccc3ncccc3c2)n1.
What is the InChIKey of N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is KOAMSJCKVVXYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-15(11-17-6-2-3-9-23-17)25-22(27)20-13-29-21(26-20)14-28-18-7-8-19-16(12-18)5-4-10-24-19/h2-10,12-13,15H,11,14H2,1H3,(H,25,27).
What are the key properties of N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide?
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 45209690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).