5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide

C25H21N5O3 — CID 45202132

IUPAC5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(Cn1cccn1)c1ccccc1)c1cc(COc2cccc3cnccc23)on1
InChIInChI=1S/C25H21N5O3/c31-25(28-23(16-30-13-5-11-27-30)18-6-2-1-3-7-18)22-14-20(33-29-22)17-32-24-9-4-8-19-15-26-12-10-21(19)24/h1-15,23H,16-17H2,(H,28,31)
InChIKeyWTUMGMMBQPBMBO-UHFFFAOYSA-N
MW439.48 g/mol
LogP4.17
Rot. Bonds8

About 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide

5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 45202132) has the molecular formula C25H21N5O3 and a molecular weight of 439.48 g/mol. Its IUPAC name is 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
PubChem CID45202132
Molecular FormulaC25H21N5O3
Molecular Weight439.48 g/mol
Exact Mass439.16
IUPAC Name5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NC(Cn1cccn1)c1ccccc1)c1cc(COc2cccc3cnccc23)on1
InChIInChI=1S/C25H21N5O3/c31-25(28-23(16-30-13-5-11-27-30)18-6-2-1-3-7-18)22-14-20(33-29-22)17-32-24-9-4-8-19-15-26-12-10-21(19)24/h1-15,23H,16-17H2,(H,28,31)
InChIKeyWTUMGMMBQPBMBO-UHFFFAOYSA-N
XLogP4.17
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.48
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-(4-fluorophenyl)propyl]-5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 25461135
ethyl (3S)-3-[[5-(isoquinolin-5-yloxymethyl)-1,2-oxazole-3-carbonyl]amino]-5-methylhexanoate
CID 28989461
5-(isoquinolin-5-yloxymethyl)-N-(3-morpholin-4-ylpropyl)-1,2-oxazole-3-carboxamide
CID 28731346
5-(isoquinolin-5-yloxymethyl)-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 56714182
N-[(2S)-butan-2-yl]-2-(isoquinolin-5-yloxymethyl)-1,3-oxazole-4-carboxamide
CID 26405987
3-(2-methylpropyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-5-carboxamide
CID 70770272
N-(1-pyridin-4-ylpropyl)-5-(quinolin-6-yloxymethyl)-1,2-oxazole-3-carboxamide
CID 45252047
N-(1-phenyl-2-pyrazol-1-ylethyl)prop-2-enamide
CID 166406989
N-(1-phenyl-2-pyrazol-1-ylethyl)-3-(1,2,4-triazol-4-yl)benzamide
CID 50973724
N-[(1R)-1-phenyl-2-pyrazol-1-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 95135581
N-[(1S)-1-phenyl-2-pyrrolidin-1-ylethyl]-5-propyl-1,2-oxazole-3-carboxamide
CID 96581160
3-(4-fluorophenyl)-N-[(1S)-1-phenyl-2-pyrazol-1-ylethyl]-1H-pyrazole-5-carboxamide
CID 97129988

Frequently Asked Questions

What is the IUPAC name of 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide (CID 45202132) is 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide is O=C(NC(Cn1cccn1)c1ccccc1)c1cc(COc2cccc3cnccc23)on1.
What is the InChIKey of 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is WTUMGMMBQPBMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3/c31-25(28-23(16-30-13-5-11-27-30)18-6-2-1-3-7-18)22-14-20(33-29-22)17-32-24-9-4-8-19-15-26-12-10-21(19)24/h1-15,23H,16-17H2,(H,28,31).
What are the key properties of 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide?
5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 439.48 g/mol, XLogP of 4.17, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(isoquinolin-5-yloxymethyl)-N-(1-phenyl-2-pyrazol-1-ylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 45202132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).