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

C20H24N4O2 — CID 20948999

IUPAC4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCC(C)c3ccccc3)noc2C)n1
InChIInChI=1S/C20H24N4O2/c1-13(17-8-6-5-7-9-17)11-21-20(25)19-18(16(4)26-23-19)12-24-15(3)10-14(2)22-24/h5-10,13H,11-12H2,1-4H3,(H,21,25)
InChIKeyAWMMWGSILBSQGX-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.38
Rot. Bonds6

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

4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 20948999) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID20948999
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide
SMILESCc1cc(C)n(Cc2c(C(=O)NCC(C)c3ccccc3)noc2C)n1
InChIInChI=1S/C20H24N4O2/c1-13(17-8-6-5-7-9-17)11-21-20(25)19-18(16(4)26-23-19)12-24-15(3)10-14(2)22-24/h5-10,13H,11-12H2,1-4H3,(H,21,25)
InChIKeyAWMMWGSILBSQGX-UHFFFAOYSA-N
XLogP3.38
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.38
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-phenylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide (CID 20948999) is 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide is Cc1cc(C)n(Cc2c(C(=O)NCC(C)c3ccccc3)noc2C)n1.
What is the InChIKey of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is AWMMWGSILBSQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-13(17-8-6-5-7-9-17)11-21-20(25)19-18(16(4)26-23-19)12-24-15(3)10-14(2)22-24/h5-10,13H,11-12H2,1-4H3,(H,21,25).
What are the key properties of 4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide?
4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-N-(2-phenylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.38, 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-phenylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 20948999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).