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N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride

C18H19ClN6O4 — CID 171347379

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc(C(=O)Nc3cn(C4CCOC4)nc3C(N)=O)co2)ccn1.Cl
InChIInChI=1S/C18H18N6O4.ClH/c1-10-6-11(2-4-20-10)18-22-14(9-28-18)17(26)21-13-7-24(12-3-5-27-8-12)23-15(13)16(19)25;/h2,4,6-7,9,12H,3,5,8H2,1H3,(H2,19,25)(H,21,26);1H
InChIKeyFCVCBWSQHATFNF-UHFFFAOYSA-N
MW418.84 g/mol
LogP1.98
Rot. Bonds5

About N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride

N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 171347379) has the molecular formula C18H19ClN6O4 and a molecular weight of 418.84 g/mol. Its IUPAC name is N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID171347379
Molecular FormulaC18H19ClN6O4
Molecular Weight418.84 g/mol
Exact Mass418.12
IUPAC NameN-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc(C(=O)Nc3cn(C4CCOC4)nc3C(N)=O)co2)ccn1.Cl
InChIInChI=1S/C18H18N6O4.ClH/c1-10-6-11(2-4-20-10)18-22-14(9-28-18)17(26)21-13-7-24(12-3-5-27-8-12)23-15(13)16(19)25;/h2,4,6-7,9,12H,3,5,8H2,1H3,(H2,19,25)(H,21,26);1H
InChIKeyFCVCBWSQHATFNF-UHFFFAOYSA-N
XLogP1.98
TPSA138.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.84
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 171347379) is N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is Cc1cc(-c2nc(C(=O)Nc3cn(C4CCOC4)nc3C(N)=O)co2)ccn1.Cl.
What is the InChIKey of N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is FCVCBWSQHATFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O4.ClH/c1-10-6-11(2-4-20-10)18-22-14(9-28-18)17(26)21-13-7-24(12-3-5-27-8-12)23-15(13)16(19)25;/h2,4,6-7,9,12H,3,5,8H2,1H3,(H2,19,25)(H,21,26);1H.
What are the key properties of N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 418.84 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-1-(oxolan-3-yl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 171347379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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