N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C27H24N4O3 — CID 31333794

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C27H24N4O3/c1-29(25(32)16-17-30-23-14-8-9-15-24(23)34-27(30)33)18-21-19-31(22-12-6-3-7-13-22)28-26(21)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3
InChIKeyVBJGHGLJXKMPES-UHFFFAOYSA-N
MW452.51 g/mol
LogP4.50
Rot. Bonds7

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 31333794) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID31333794
Molecular FormulaC27H24N4O3
Molecular Weight452.51 g/mol
Exact Mass452.18
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCn1c(=O)oc2ccccc21
InChIInChI=1S/C27H24N4O3/c1-29(25(32)16-17-30-23-14-8-9-15-24(23)34-27(30)33)18-21-19-31(22-12-6-3-7-13-22)28-26(21)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3
InChIKeyVBJGHGLJXKMPES-UHFFFAOYSA-N
XLogP4.50
TPSA73.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.51
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
(1,3-diphenylpyrazol-4-yl)methyl 2-(2-oxo-1,3-benzoxazol-3-yl)acetate
CID 18279019
N-[(2,4-dimethylphenyl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 9228097
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 29469726
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-methylacetamide
CID 31801441
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 30135460
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
CID 9140809
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methyl-4-(methylamino)butanamide;hydrochloride
CID 119688729
2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763812
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 32757922

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 31333794) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCn1c(=O)oc2ccccc21.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is VBJGHGLJXKMPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-29(25(32)16-17-30-23-14-8-9-15-24(23)34-27(30)33)18-21-19-31(22-12-6-3-7-13-22)28-26(21)20-10-4-2-5-11-20/h2-15,19H,16-18H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 452.51 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 31333794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).