N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide

C21H21N5O3 — CID 45252294

IUPACN-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCC(CCn1cccn1)NC(=O)c1cc(COc2ccc3ncccc3c2)on1
InChIInChI=1S/C21H21N5O3/c1-15(7-11-26-10-3-9-23-26)24-21(27)20-13-18(29-25-20)14-28-17-5-6-19-16(12-17)4-2-8-22-19/h2-6,8-10,12-13,15H,7,11,14H2,1H3,(H,24,27)
InChIKeyRWPCENOMXLUWCW-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.21
Rot. Bonds8

About N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide

N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (PubChem CID 45252294) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
PubChem CID45252294
Molecular FormulaC21H21N5O3
Molecular Weight391.43 g/mol
Exact Mass391.16
IUPAC NameN-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
SMILESCC(CCn1cccn1)NC(=O)c1cc(COc2ccc3ncccc3c2)on1
InChIInChI=1S/C21H21N5O3/c1-15(7-11-26-10-3-9-23-26)24-21(27)20-13-18(29-25-20)14-28-17-5-6-19-16(12-17)4-2-8-22-19/h2-6,8-10,12-13,15H,7,11,14H2,1H3,(H,24,27)
InChIKeyRWPCENOMXLUWCW-UHFFFAOYSA-N
XLogP3.21
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252047
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-(2-methylpropyl)pyrrolidin-1-yl]-[5-(quinolin-6-yloxymethyl)-1,2-oxazol-3-yl]methanone
CID 56757571
3-methyl-5-(quinolin-6-yloxymethyl)-1,2-oxazole
CID 56820803
N-(1-pyridin-2-ylpropan-2-yl)-2-(quinolin-6-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 45209690
N-(1,3-benzodioxol-5-ylmethyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25274856
N-butan-2-yl-2-quinolin-6-yloxyacetamide
CID 47453985
5-[(3,4-dimethylphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 24790241
5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 45202237

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide (CID 45252294) is N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is CC(CCn1cccn1)NC(=O)c1cc(COc2ccc3ncccc3c2)on1.
What is the InChIKey of N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is RWPCENOMXLUWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-15(7-11-26-10-3-9-23-26)24-21(27)20-13-18(29-25-20)14-28-17-5-6-19-16(12-17)4-2-8-22-19/h2-6,8-10,12-13,15H,7,11,14H2,1H3,(H,24,27).
What are the key properties of N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide?
N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrazol-1-ylbutan-2-yl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45252294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).