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

C19H21ClN6O4 — CID 171346941

IUPACN-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc(C(=O)Nc3cn(CC4(C)COC4)nc3C(N)=O)co2)ccn1.Cl
InChIInChI=1S/C19H20N6O4.ClH/c1-11-5-12(3-4-21-11)18-23-14(7-29-18)17(27)22-13-6-25(24-15(13)16(20)26)8-19(2)9-28-10-19;/h3-7H,8-10H2,1-2H3,(H2,20,26)(H,22,27);1H
InChIKeyPUBZRXYQXCDHAH-UHFFFAOYSA-N
MW432.87 g/mol
LogP2.05
Rot. Bonds6

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

N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 171346941) has the molecular formula C19H21ClN6O4 and a molecular weight of 432.87 g/mol. Its IUPAC name is N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID171346941
Molecular FormulaC19H21ClN6O4
Molecular Weight432.87 g/mol
Exact Mass432.13
IUPAC NameN-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCc1cc(-c2nc(C(=O)Nc3cn(CC4(C)COC4)nc3C(N)=O)co2)ccn1.Cl
InChIInChI=1S/C19H20N6O4.ClH/c1-11-5-12(3-4-21-11)18-23-14(7-29-18)17(27)22-13-6-25(24-15(13)16(20)26)8-19(2)9-28-10-19;/h3-7H,8-10H2,1-2H3,(H2,20,26)(H,22,27);1H
InChIKeyPUBZRXYQXCDHAH-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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Related Compounds

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CID 71288692
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-[5-[(4-methoxycyclohexyl)carbamoyl]-1H-pyrazol-4-yl]-5-phenyl-1,3-oxazole-4-carboxamide
CID 118714279
N-(3-carbamoyl-1-(tetrahydro-2H-pyran-4-yl)-1H-pyrazol-4-yl)-2-(2-methylpyridin-4-yl)oxazole-4-carboxamide hydrochloride
CID 118719434
5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 126842437
N-[1-[2-[(5-fluoro-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 126842421
N-[(6-amino-2,4-dimethyl-3-pyridinyl)methyl]-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrazole-4-carboxamide
CID 56836623
2-Methyl-4-(2-oxa-6-aza-spiro[3.3]heptane-6-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]amide
CID 71288600
2-Methyl-4-(morpholine-4-carbonyl)-2H-pyrazole-3-carboxylic acid [2-(5-methyl-2-phenyl-oxazol-4-yl)-ethyl]-amide
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Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 171346941) is N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is Cc1cc(-c2nc(C(=O)Nc3cn(CC4(C)COC4)nc3C(N)=O)co2)ccn1.Cl.
What is the InChIKey of N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is PUBZRXYQXCDHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O4.ClH/c1-11-5-12(3-4-21-11)18-23-14(7-29-18)17(27)22-13-6-25(24-15(13)16(20)26)8-19(2)9-28-10-19;/h3-7H,8-10H2,1-2H3,(H2,20,26)(H,22,27);1H.
What are the key properties of N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
N-[3-carbamoyl-1-[(3-methyloxetan-3-yl)methyl]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-[(3-methyloxetan-3-yl)methyl]pyrazol-4-yl]-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 171346941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).