N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide

C20H24N4O2 — CID 71837315

IUPACN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide
SMILESCc1cc(C)n(Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)oc2C)n1
InChIInChI=1S/C20H24N4O2/c1-12(2)19(25)21-17-8-6-16(7-9-17)20-22-18(15(5)26-20)11-24-14(4)10-13(3)23-24/h6-10,12H,11H2,1-5H3,(H,21,25)
InChIKeyFAFKVZVUWITIIE-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.11
Rot. Bonds5

About N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide

N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide (PubChem CID 71837315) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide
PubChem CID71837315
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide
SMILESCc1cc(C)n(Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)oc2C)n1
InChIInChI=1S/C20H24N4O2/c1-12(2)19(25)21-17-8-6-16(7-9-17)20-22-18(15(5)26-20)11-24-14(4)10-13(3)23-24/h6-10,12H,11H2,1-5H3,(H,21,25)
InChIKeyFAFKVZVUWITIIE-UHFFFAOYSA-N
XLogP4.11
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide (CID 71837315) is N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide is Cc1cc(C)n(Cc2nc(-c3ccc(NC(=O)C(C)C)cc3)oc2C)n1.
What is the InChIKey of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide?
The InChIKey is FAFKVZVUWITIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)19(25)21-17-8-6-16(7-9-17)20-22-18(15(5)26-20)11-24-14(4)10-13(3)23-24/h6-10,12H,11H2,1-5H3,(H,21,25).
What are the key properties of N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide?
N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide has a molecular weight of 352.44 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[(3,5-dimethylpyrazol-1-yl)methyl]-5-methyl-1,3-oxazol-2-yl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 71837315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).