N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C24H24N4O3 — CID 38884928

IUPACN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCc1c(NC(=O)CCCc2ncc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H24N4O3/c1-17-23(24(30)28(27(17)2)19-12-7-4-8-13-19)26-21(29)14-9-15-22-25-16-20(31-22)18-10-5-3-6-11-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,26,29)
InChIKeyBXSJISXBWKMXEI-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.10
Rot. Bonds7

About N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 38884928) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID38884928
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC NameN-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCc1c(NC(=O)CCCc2ncc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C24H24N4O3/c1-17-23(24(30)28(27(17)2)19-12-7-4-8-13-19)26-21(29)14-9-15-22-25-16-20(31-22)18-10-5-3-6-11-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,26,29)
InChIKeyBXSJISXBWKMXEI-UHFFFAOYSA-N
XLogP4.10
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
4-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide;hydrochloride
CID 119261471
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)dodecanamide
CID 4117225
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 24589595
7-amino-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)heptanamide;hydrochloride
CID 119669086
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60555410
4-(4-tert-butylphenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 8701720
3-(4-chlorophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)propanamide
CID 16574621
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-(3-phenylpropylsulfanyl)propanamide
CID 46575255
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-[(1R,2S,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]hexanamide
CID 98148996
4-(2,4-dichlorophenoxy)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)butanamide
CID 2257918

Frequently Asked Questions

What is the IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 38884928) is N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is Cc1c(NC(=O)CCCc2ncc(-c3ccccc3)o2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is BXSJISXBWKMXEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-17-23(24(30)28(27(17)2)19-12-7-4-8-13-19)26-21(29)14-9-15-22-25-16-20(31-22)18-10-5-3-6-11-18/h3-8,10-13,16H,9,14-15H2,1-2H3,(H,26,29).
What are the key properties of N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 416.48 g/mol, XLogP of 4.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 38884928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).