4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide

C19H22N4O2 — CID 20948990

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCCc3ccccc3)noc2C)n1
InChIInChI=1S/C19H22N4O2/c1-13-11-14(2)23(21-13)12-17-15(3)25-22-18(17)19(24)20-10-9-16-7-5-4-6-8-16/h4-8,11H,9-10,12H2,1-3H3,(H,20,24)
InChIKeyIAOAFJOJXBQIIC-UHFFFAOYSA-N
MW338.41 g/mol
LogP2.82
Rot. Bonds6

About 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (PubChem CID 20948990) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
PubChem CID20948990
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCCc3ccccc3)noc2C)n1
InChIInChI=1S/C19H22N4O2/c1-13-11-14(2)23(21-13)12-17-15(3)25-22-18(17)19(24)20-10-9-16-7-5-4-6-8-16/h4-8,11H,9-10,12H2,1-3H3,(H,20,24)
InChIKeyIAOAFJOJXBQIIC-UHFFFAOYSA-N
XLogP2.82
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide (CID 20948990) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cc2c(C(=O)NCCc3ccccc3)noc2C)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IAOAFJOJXBQIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-13-11-14(2)23(21-13)12-17-15(3)25-22-18(17)19(24)20-10-9-16-7-5-4-6-8-16/h4-8,11H,9-10,12H2,1-3H3,(H,20,24).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.82, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20948990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).