N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide

C22H20N4O3 — CID 45252047

IUPACN-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(COc2ccc3ncccc3c2)on1)c1ccncc1
InChIInChI=1S/C22H20N4O3/c1-2-19(15-7-10-23-11-8-15)25-22(27)21-13-18(29-26-21)14-28-17-5-6-20-16(12-17)4-3-9-24-20/h3-13,19H,2,14H2,1H3,(H,25,27)
InChIKeyDCXWLFNVDAFACZ-UHFFFAOYSA-N
MW388.43 g/mol
LogP4.08
Rot. Bonds7

About N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide

N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 45252047) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID45252047
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCCC(NC(=O)c1cc(COc2ccc3ncccc3c2)on1)c1ccncc1
InChIInChI=1S/C22H20N4O3/c1-2-19(15-7-10-23-11-8-15)25-22(27)21-13-18(29-26-21)14-28-17-5-6-20-16(12-17)4-3-9-24-20/h3-13,19H,2,14H2,1H3,(H,25,27)
InChIKeyDCXWLFNVDAFACZ-UHFFFAOYSA-N
XLogP4.08
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 ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-1-methoxypropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42460246
N-[(2S)-1-pyridin-3-ylpropan-2-yl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 42593563
N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252294
N-methyl-N-propyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 56744732
N-[(5-methylpyrazin-2-yl)methyl]-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 74229782
3-methyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole
CID 56820803
N-[(1R)-1-(4-fluorophenyl)propyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25461135
N-(1,3-benzodioxol-5-ylmethyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25274856
4-methoxy-N-(1-pyridin-4-ylpropyl)pyridine-2-carboxamide
CID 91763496
[3-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 56757571
N-[(R)-(4-methoxyphenyl)-pyridin-4-ylmethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96575078
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985

Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 45252047) is N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is CCC(NC(=O)c1cc(COc2ccc3ncccc3c2)on1)c1ccncc1.
What is the InChIKey of N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is DCXWLFNVDAFACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-2-19(15-7-10-23-11-8-15)25-22(27)21-13-18(29-26-21)14-28-17-5-6-20-16(12-17)4-3-9-24-20/h3-13,19H,2,14H2,1H3,(H,25,27).
What are the key properties of N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 4.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45252047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).