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

C19H21ClN6O4 — CID 171348727

IUPACN-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc(C(=O)Nc3cn(CC4CCOC4)nc3C(N)=O)co2)ccn1.Cl
InChIInChI=1S/C19H20N6O4.ClH/c1-11-6-13(2-4-21-11)19-23-15(10-29-19)18(27)22-14-8-25(24-16(14)17(20)26)7-12-3-5-28-9-12;/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H2,20,26)(H,22,27);1H
InChIKeyQWNKTVDJANGZDN-UHFFFAOYSA-N
MW432.87 g/mol
LogP2.05
Rot. Bonds6

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

N-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 171348727) has the molecular formula C19H21ClN6O4 and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID171348727
Molecular FormulaC19H21ClN6O4
Molecular Weight432.87 g/mol
Exact Mass432.13
IUPAC NameN-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc(C(=O)Nc3cn(CC4CCOC4)nc3C(N)=O)co2)ccn1.Cl
InChIInChI=1S/C19H20N6O4.ClH/c1-11-6-13(2-4-21-11)19-23-15(10-29-19)18(27)22-14-8-25(24-16(14)17(20)26)7-12-3-5-28-9-12;/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H2,20,26)(H,22,27);1H
InChIKeyQWNKTVDJANGZDN-UHFFFAOYSA-N
XLogP2.05
TPSA138.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.87
LogP ≤ 52.05
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-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 171348727) is N-[3-carbamoyl-1-(oxolan-3-ylmethyl)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-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is Cc1cc(-c2nc(C(=O)Nc3cn(CC4CCOC4)nc3C(N)=O)co2)ccn1.Cl.
What is the InChIKey of N-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is QWNKTVDJANGZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4.ClH/c1-11-6-13(2-4-21-11)19-23-15(10-29-19)18(27)22-14-8-25(24-16(14)17(20)26)7-12-3-5-28-9-12;/h2,4,6,8,10,12H,3,5,7,9H2,1H3,(H2,20,26)(H,22,27);1H.
What are the key properties of N-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
N-[3-carbamoyl-1-(oxolan-3-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 432.87 g/mol, XLogP of 2.05, 6 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-ylmethyl)pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 171348727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).