2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

C19H23N5O2 — CID 9205974

IUPAC2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)no1
InChIInChI=1S/C19H23N5O2/c1-13-10-18(22-26-13)20-19(25)12-23(4)11-17-14(2)21-24(15(17)3)16-8-6-5-7-9-16/h5-10H,11-12H2,1-4H3,(H,20,22,25)
InChIKeyOJSOCINLIVZBAN-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.86
Rot. Bonds6

About 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 9205974) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID9205974
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)no1
InChIInChI=1S/C19H23N5O2/c1-13-10-18(22-26-13)20-19(25)12-23(4)11-17-14(2)21-24(15(17)3)16-8-6-5-7-9-16/h5-10H,11-12H2,1-4H3,(H,20,22,25)
InChIKeyOJSOCINLIVZBAN-UHFFFAOYSA-N
XLogP2.86
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 9205974) is 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(NC(=O)CN(C)Cc2c(C)nn(-c3ccccc3)c2C)no1.
What is the InChIKey of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is OJSOCINLIVZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c1-13-10-18(22-26-13)20-19(25)12-23(4)11-17-14(2)21-24(15(17)3)16-8-6-5-7-9-16/h5-10H,11-12H2,1-4H3,(H,20,22,25).
What are the key properties of 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide?
2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 353.43 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 9205974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).