N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide

C18H20N4O2 — CID 25206165

IUPACN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)C(C)c2ccccc2)cn1
InChIInChI=1S/C18H20N4O2/c1-12(15-7-5-4-6-8-15)18(23)20-16-9-19-22(10-16)11-17-13(2)21-24-14(17)3/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyMEPWHBIWEVVHFR-UHFFFAOYSA-N
MW324.38 g/mol
LogP3.28
Rot. Bonds5

About N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide

N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide (PubChem CID 25206165) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide
PubChem CID25206165
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC NameN-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide
SMILESCc1noc(C)c1Cn1cc(NC(=O)C(C)c2ccccc2)cn1
InChIInChI=1S/C18H20N4O2/c1-12(15-7-5-4-6-8-15)18(23)20-16-9-19-22(10-16)11-17-13(2)21-24-14(17)3/h4-10,12H,11H2,1-3H3,(H,20,23)
InChIKeyMEPWHBIWEVVHFR-UHFFFAOYSA-N
XLogP3.28
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide?
The IUPAC name of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide (CID 25206165) is N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide?
The canonical SMILES for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide is Cc1noc(C)c1Cn1cc(NC(=O)C(C)c2ccccc2)cn1.
What is the InChIKey of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide?
The InChIKey is MEPWHBIWEVVHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-12(15-7-5-4-6-8-15)18(23)20-16-9-19-22(10-16)11-17-13(2)21-24-14(17)3/h4-10,12H,11H2,1-3H3,(H,20,23).
What are the key properties of N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide?
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide has a molecular weight of 324.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylpropanamide is sourced from PubChem (CID 25206165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).