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

C22H23N5O3 — CID 24747947

IUPACN-(2-methoxyethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C22H23N5O3/c1-29-11-10-24-22(28)21-13-19(16-6-3-2-4-7-16)25-27(21)15-18-12-20(26-30-18)17-8-5-9-23-14-17/h2-9,13-14,18H,10-12,15H2,1H3,(H,24,28)
InChIKeyNEXWIMCGOJVVCA-UHFFFAOYSA-N
MW405.46 g/mol
LogP2.51
Rot. Bonds8

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

N-(2-methoxyethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (PubChem CID 24747947) has the molecular formula C22H23N5O3 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
PubChem CID24747947
Molecular FormulaC22H23N5O3
Molecular Weight405.46 g/mol
Exact Mass405.18
IUPAC NameN-(2-methoxyethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide
SMILESCOCCNC(=O)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1
InChIInChI=1S/C22H23N5O3/c1-29-11-10-24-22(28)21-13-19(16-6-3-2-4-7-16)25-27(21)15-18-12-20(26-30-18)17-8-5-9-23-14-17/h2-9,13-14,18H,10-12,15H2,1H3,(H,24,28)
InChIKeyNEXWIMCGOJVVCA-UHFFFAOYSA-N
XLogP2.51
TPSA90.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 52.51
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

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N-[(1S,2S)-2-hydroxycyclohexyl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
CID 118663151
N-[(3R,4S)-3-hydroxyoxan-4-yl]-5-methyl-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
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20-Methyl-8,13-dioxa-4,5,10,16,19,20,23,29-octazapentacyclo[23.3.1.12,5.110,14.018,22]hentriaconta-1(29),2(31),3,18,21,25,27-heptaene-9,17,24-trione
CID 122472079
[(3R)-3-benzylmorpholin-4-yl][5-(4-methylpyridin-2-yl)-1H-pyrazol-3-yl]methanone
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CID 3236329
N-(2-oxolanylmethyl)-2-[1-oxo-4-(3-pyridinylmethyl)-2-phthalazinyl]acetamide
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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
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
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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-phenyl-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-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide (CID 24747947) is N-(2-methoxyethyl)-3-phenyl-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-phenyl-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-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is COCCNC(=O)c1cc(-c2ccccc2)nn1CC1CC(c2cccnc2)=NO1.
What is the InChIKey of N-(2-methoxyethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
The InChIKey is NEXWIMCGOJVVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3/c1-29-11-10-24-22(28)21-13-19(16-6-3-2-4-7-16)25-27(21)15-18-12-20(26-30-18)17-8-5-9-23-14-17/h2-9,13-14,18H,10-12,15H2,1H3,(H,24,28).
What are the key properties of N-(2-methoxyethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide?
N-(2-methoxyethyl)-3-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 2.51, 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-phenyl-1-[(3-pyridin-3-yl-4,5-dihydro-1,2-oxazol-5-yl)methyl]pyrazole-5-carboxamide is sourced from PubChem (CID 24747947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).