5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

C22H21N5O3 — CID 126842420

IUPAC5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cccc(C)n3)c2)c1
InChIInChI=1S/C22H21N5O3/c1-15-5-3-7-17(11-15)21-20(23-14-30-21)22(28)26-18-12-24-27(13-18)9-10-29-19-8-4-6-16(2)25-19/h3-8,11-14H,9-10H2,1-2H3,(H,26,28)
InChIKeyNBTYOFPLQJQTIH-UHFFFAOYSA-N
MW403.44 g/mol
LogP3.88
Rot. Bonds7

About 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide

5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (PubChem CID 126842420) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
PubChem CID126842420
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide
SMILESCc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cccc(C)n3)c2)c1
InChIInChI=1S/C22H21N5O3/c1-15-5-3-7-17(11-15)21-20(23-14-30-21)22(28)26-18-12-24-27(13-18)9-10-29-19-8-4-6-16(2)25-19/h3-8,11-14H,9-10H2,1-2H3,(H,26,28)
InChIKeyNBTYOFPLQJQTIH-UHFFFAOYSA-N
XLogP3.88
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide (CID 126842420) is 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is Cc1cccc(-c2ocnc2C(=O)Nc2cnn(CCOc3cccc(C)n3)c2)c1.
What is the InChIKey of 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
The InChIKey is NBTYOFPLQJQTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-15-5-3-7-17(11-15)21-20(23-14-30-21)22(28)26-18-12-24-27(13-18)9-10-29-19-8-4-6-16(2)25-19/h3-8,11-14H,9-10H2,1-2H3,(H,26,28).
What are the key properties of 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide?
5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylphenyl)-N-[1-[2-[(6-methyl-2-pyridinyl)oxy]ethyl]pyrazol-4-yl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126842420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).