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

C25H26N4O2 — CID 16598979

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C25H26N4O2/c1-18-22(19(2)29(28-18)17-20-9-5-3-6-10-20)15-26-24(30)13-14-25-27-16-23(31-25)21-11-7-4-8-12-21/h3-12,16H,13-15,17H2,1-2H3,(H,26,30)
InChIKeyCGFWUJBQUYXNAY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.45
Rot. Bonds8

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

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (PubChem CID 16598979) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
PubChem CID16598979
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C25H26N4O2/c1-18-22(19(2)29(28-18)17-20-9-5-3-6-10-20)15-26-24(30)13-14-25-27-16-23(31-25)21-11-7-4-8-12-21/h3-12,16H,13-15,17H2,1-2H3,(H,26,30)
InChIKeyCGFWUJBQUYXNAY-UHFFFAOYSA-N
XLogP4.45
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16598980
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)oxy]acetamide
CID 55602671
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(4,7-dimethyl-2-oxochromen-3-yl)propanamide
CID 24532850
2-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]acetamide;hydrochloride
CID 119273855
4-amino-N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]pentanamide;hydrochloride
CID 120559406
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(2-methylphenyl)acetamide
CID 8944173
N-benzyl-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784781
3-(5-phenyl-1,3-oxazol-2-yl)-N-propylpropanamide
CID 18135781
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60553216
N-(4-phenylbutyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18138486
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 119694423

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide (CID 16598979) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ncc(-c2ccccc2)o1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is CGFWUJBQUYXNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-18-22(19(2)29(28-18)17-20-9-5-3-6-10-20)15-26-24(30)13-14-25-27-16-23(31-25)21-11-7-4-8-12-21/h3-12,16H,13-15,17H2,1-2H3,(H,26,30).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 414.51 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 16598979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).