N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide

C23H25N5O3 — CID 42601305

IUPACN-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2C)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C23H25N5O3/c1-16-6-3-4-8-19(16)21-13-22(23(29)25-10-11-30-2)28(26-21)15-18-12-20(27-31-18)17-7-5-9-24-14-17/h3-9,13-14,18H,10-12,15H2,1-2H3,(H,25,29)
InChIKeyOQJJSGXCGARGCH-UHFFFAOYSA-N
MW419.49 g/mol
LogP2.82
Rot. Bonds8

About N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide

N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (PubChem CID 42601305) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
PubChem CID42601305
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC NameN-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2C)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C23H25N5O3/c1-16-6-3-4-8-19(16)21-13-22(23(29)25-10-11-30-2)28(26-21)15-18-12-20(27-31-18)17-7-5-9-24-14-17/h3-9,13-14,18H,10-12,15H2,1-2H3,(H,25,29)
InChIKeyOQJJSGXCGARGCH-UHFFFAOYSA-N
XLogP2.82
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxyethyl)-4-(4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridin-2-yl)benzamide
CID 10157758
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CID 118663151
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663182
[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone
CID 145994830
N-(2-oxolanylmethyl)-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide
CID 5308583
N-[(Z)-3-oxo-3-(oxolan-2-ylmethylamino)-1-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-1-en-2-yl]benzamide
CID 5998992
N-[(2-methoxyphenyl)methyl]-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
CID 42601297
3-(2-methylphenyl)-N-[(4-methylphenyl)methyl]-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
CID 42601299
3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(thiophen-2-ylmethyl)pyrazole-5-carboxamide
CID 42601301
N-(furan-2-ylmethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
CID 42601302
(2S)-2-[(1-methylpyrazol-3-yl)methylamino]-N-(2-oxo-5-pyridin-4-yl-1H-pyridin-3-yl)-3-phenylpropanamide
CID 71456911
N-[(3S,4S)-4-(3-fluorophenyl)piperidin-3-yl]-5-(2-methylpyrazol-3-yl)pyridine-2-carboxamide
CID 155543688

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (CID 42601305) is N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is COCCNC(=O)c1cc(-c2ccccc2C)nn1CC1CC(c2cccnc2)=NO1.
What is the InChIKey of N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is OQJJSGXCGARGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-16-6-3-4-8-19(16)21-13-22(23(29)25-10-11-30-2)28(26-21)15-18-12-20(27-31-18)17-7-5-9-24-14-17/h3-9,13-14,18H,10-12,15H2,1-2H3,(H,25,29).
What are the key properties of N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 2.82, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(2-methylphenyl)-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 42601305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).