N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride

C15H15ClN6O3 — CID 171348617

IUPACN-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCCn1cc(NC(=O)c2coc(-c3ccncc3)n2)c(C(N)=O)n1.Cl
InChIInChI=1S/C15H14N6O3.ClH/c1-2-21-7-10(12(20-21)13(16)22)18-14(23)11-8-24-15(19-11)9-3-5-17-6-4-9;/h3-8H,2H2,1H3,(H2,16,22)(H,18,23);1H
InChIKeyIKOWJUIHDBJHIM-UHFFFAOYSA-N
MW362.78 g/mol
LogP1.73
Rot. Bonds5

About N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride

N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 171348617) has the molecular formula C15H15ClN6O3 and a molecular weight of 362.78 g/mol. Its IUPAC name is N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID171348617
Molecular FormulaC15H15ClN6O3
Molecular Weight362.78 g/mol
Exact Mass362.09
IUPAC NameN-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCCn1cc(NC(=O)c2coc(-c3ccncc3)n2)c(C(N)=O)n1.Cl
InChIInChI=1S/C15H14N6O3.ClH/c1-2-21-7-10(12(20-21)13(16)22)18-14(23)11-8-24-15(19-11)9-3-5-17-6-4-9;/h3-8H,2H2,1H3,(H2,16,22)(H,18,23);1H
InChIKeyIKOWJUIHDBJHIM-UHFFFAOYSA-N
XLogP1.73
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.78
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-carbamoyl-1-pyridin-3-ylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)pyridin-4-yl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118719435
AS2444697
CID 52913874
N-(3-carbamoyl-1-methylpyrazol-4-yl)-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide;hydrochloride
CID 118719436
N-[1-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162627
N-(3-carbamoyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide hydrochloride
CID 118719434
N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 126842421
5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 126842420
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(3-fluoro-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 68377524
N-[3-carbamoyl-1-(2-methoxyethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 68377612
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-[2-(hydroxymethyl)-4-pyridinyl]-1,3-oxazole-4-carboxamide
CID 68377868
N-(5-carbamoyl-1H-pyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide
CID 68377884
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-5-carboxamide
CID 68377900

Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride (CID 171348617) is N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride is CCn1cc(NC(=O)c2coc(-c3ccncc3)n2)c(C(N)=O)n1.Cl.
What is the InChIKey of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is IKOWJUIHDBJHIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6O3.ClH/c1-2-21-7-10(12(20-21)13(16)22)18-14(23)11-8-24-15(19-11)9-3-5-17-6-4-9;/h3-8H,2H2,1H3,(H2,16,22)(H,18,23);1H.
What are the key properties of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride?
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 362.78 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-pyridin-4-yl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 171348617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).