N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C24H24N4O2 — CID 60553216

IUPACN-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCc1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n(Cc2ccccc2)n1
InChIInChI=1S/C24H24N4O2/c1-18-15-22(28(27-18)17-19-9-4-2-5-10-19)26-23(29)13-8-14-24-25-16-21(30-24)20-11-6-3-7-12-20/h2-7,9-12,15-16H,8,13-14,17H2,1H3,(H,26,29)
InChIKeyCDJBMYUXOPDDCU-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.86
Rot. Bonds8

About N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 60553216) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID60553216
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC NameN-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCc1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n(Cc2ccccc2)n1
InChIInChI=1S/C24H24N4O2/c1-18-15-22(28(27-18)17-19-9-4-2-5-10-19)26-23(29)13-8-14-24-25-16-21(30-24)20-11-6-3-7-12-20/h2-7,9-12,15-16H,8,13-14,17H2,1H3,(H,26,29)
InChIKeyCDJBMYUXOPDDCU-UHFFFAOYSA-N
XLogP4.86
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 60555410
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38884928
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(methylamino)butanamide;hydrochloride
CID 119704826
N-[5-methyl-2-(4-nitrophenyl)pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 55520511
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16598979
N-[3-(1-methyltetrazol-5-yl)phenyl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38937340
N-methyl-3-[[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]methyl]benzamide
CID 55690441
methyl 4-[4-(5-phenyl-1,3-oxazol-2-yl)butanoylamino]benzoate
CID 38886699
N-(2-benzyl-5-methylpyrazol-3-yl)-3-(4-methoxyphenyl)propanamide
CID 5300709
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 16600619
N-(2-hydroxypropyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 78873748

Frequently Asked Questions

What is the IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 60553216) is N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is Cc1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n(Cc2ccccc2)n1.
What is the InChIKey of N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is CDJBMYUXOPDDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-18-15-22(28(27-18)17-19-9-4-2-5-10-19)26-23(29)13-8-14-24-25-16-21(30-24)20-11-6-3-7-12-20/h2-7,9-12,15-16H,8,13-14,17H2,1H3,(H,26,29).
What are the key properties of N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 400.48 g/mol, XLogP of 4.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzyl-5-methylpyrazol-3-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 60553216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).