5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C24H20N6O3 — CID 126842437

IUPAC5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C24H20N6O3/c1-16-5-4-6-17(11-16)23-22(26-15-33-23)24(31)28-18-12-27-30(14-18)9-10-32-21-13-25-19-7-2-3-8-20(19)29-21/h2-8,11-15H,9-10H2,1H3,(H,28,31)
InChIKeyPHLDAHHMNAPBQI-UHFFFAOYSA-N
MW440.46 g/mol
LogP4.12
Rot. Bonds7

About 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide

5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 126842437) has the molecular formula C24H20N6O3 and a molecular weight of 440.46 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID126842437
Molecular FormulaC24H20N6O3
Molecular Weight440.46 g/mol
Exact Mass440.16
IUPAC Name5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cnc4ccccc4n3)c2)c1
InChIInChI=1S/C24H20N6O3/c1-16-5-4-6-17(11-16)23-22(26-15-33-23)24(31)28-18-12-27-30(14-18)9-10-32-21-13-25-19-7-2-3-8-20(19)29-21/h2-8,11-15H,9-10H2,1H3,(H,28,31)
InChIKeyPHLDAHHMNAPBQI-UHFFFAOYSA-N
XLogP4.12
TPSA107.96 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

AS2444697
CID 52913874
N-[1-[2-(5-methoxy-1-methylindol-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161573
N-[1-[2-(5-methoxy-1H-pyrrolo[3,2-b]pyridin-3-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161576
N-[1-[2-(6-methoxyindol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161704
N-[1-[2-(4,6-dimethoxypyrimidin-2-yl)oxyethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161839
N-(1-(2-((4,6-dimethoxypyrimidin-2-yl)amino)ethyl)-1H-pyrazol-4-yl)-5-(m-tolyl)oxazole-4-carboxamide
CID 60161973
N-[1-[2-(benzimidazol-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60161974
N-[1-[2-(6-methoxypyrrolo[3,2-c]pyridin-1-yl)ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162113
N-[1-(2-indol-1-ylethyl)pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162239
5-(3-methylphenyl)-N-[1-(2-quinazolin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide
CID 60162372
N-[1-[2-[(4,6-dimethyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60162627
N-[1-[3-(4,6-dimethoxypyrimidin-2-yl)propyl]pyrazol-4-yl]-5-(3-methylphenyl)-1,3-oxazole-4-carboxamide
CID 60163538

Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 126842437) is 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cnc4ccccc4n3)c2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is PHLDAHHMNAPBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N6O3/c1-16-5-4-6-17(11-16)23-22(26-15-33-23)24(31)28-18-12-27-30(14-18)9-10-32-21-13-25-19-7-2-3-8-20(19)29-21/h2-8,11-15H,9-10H2,1H3,(H,28,31).
What are the key properties of 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 440.46 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[1-(2-quinoxalin-2-yloxyethyl)pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).