N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

C18H20N4O2 — CID 138017031

IUPACN-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)cc(CN(C)C(=O)c2cc(-c3ccn(C)n3)on2)c1
InChIInChI=1S/C18H20N4O2/c1-12-7-13(2)9-14(8-12)11-21(3)18(23)16-10-17(24-20-16)15-5-6-22(4)19-15/h5-10H,11H2,1-4H3
InChIKeySJBHGQMQXYTRPL-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.96
Rot. Bonds4

About N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide

N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (PubChem CID 138017031) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
PubChem CID138017031
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)cc(CN(C)C(=O)c2cc(-c3ccn(C)n3)on2)c1
InChIInChI=1S/C18H20N4O2/c1-12-7-13(2)9-14(8-12)11-21(3)18(23)16-10-17(24-20-16)15-5-6-22(4)19-15/h5-10H,11H2,1-4H3
InChIKeySJBHGQMQXYTRPL-UHFFFAOYSA-N
XLogP2.96
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide (CID 138017031) is N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is Cc1cc(C)cc(CN(C)C(=O)c2cc(-c3ccn(C)n3)on2)c1.
What is the InChIKey of N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
The InChIKey is SJBHGQMQXYTRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12-7-13(2)9-14(8-12)11-21(3)18(23)16-10-17(24-20-16)15-5-6-22(4)19-15/h5-10H,11H2,1-4H3.
What are the key properties of N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide?
N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethylphenyl)methyl]-N-methyl-5-(1-methylpyrazol-3-yl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 138017031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).