N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

C24H24N4O3 — CID 3240170

IUPACN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1
InChIInChI=1S/C24H24N4O3/c1-15-8-5-6-9-19(15)14-28-17(3)23(16(2)26-28)25-24(29)21-13-22(31-27-21)18-10-7-11-20(12-18)30-4/h5-13H,14H2,1-4H3,(H,25,29)
InChIKeyGYHIIJSVJMUGJD-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.77
Rot. Bonds6

About N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 3240170) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID3240170
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1
InChIInChI=1S/C24H24N4O3/c1-15-8-5-6-9-19(15)14-28-17(3)23(16(2)26-28)25-24(29)21-13-22(31-27-21)18-10-7-11-20(12-18)30-4/h5-13H,14H2,1-4H3,(H,25,29)
InChIKeyGYHIIJSVJMUGJD-UHFFFAOYSA-N
XLogP4.77
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 3240170) is N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4C)c3C)no2)c1.
What is the InChIKey of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GYHIIJSVJMUGJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-15-8-5-6-9-19(15)14-28-17(3)23(16(2)26-28)25-24(29)21-13-22(31-27-21)18-10-7-11-20(12-18)30-4/h5-13H,14H2,1-4H3,(H,25,29).
What are the key properties of N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 416.48 g/mol, XLogP of 4.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-(3-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3240170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).