N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide

C23H21BrN4O2 — CID 60555410

IUPACN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCc1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C23H21BrN4O2/c1-16-13-21(28(27-16)19-10-5-9-18(24)14-19)26-22(29)11-6-12-23-25-15-20(30-23)17-7-3-2-4-8-17/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,26,29)
InChIKeyOZDDLFPWAJOOBP-UHFFFAOYSA-N
MW465.35 g/mol
LogP5.56
Rot. Bonds7

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

N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (PubChem CID 60555410) has the molecular formula C23H21BrN4O2 and a molecular weight of 465.35 g/mol. Its IUPAC name is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.

Molecular Properties

Compound NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
PubChem CID60555410
Molecular FormulaC23H21BrN4O2
Molecular Weight465.35 g/mol
Exact Mass464.08
IUPAC NameN-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
SMILESCc1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n(-c2cccc(Br)c2)n1
InChIInChI=1S/C23H21BrN4O2/c1-16-13-21(28(27-16)19-10-5-9-18(24)14-19)26-22(29)11-6-12-23-25-15-20(30-23)17-7-3-2-4-8-17/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,26,29)
InChIKeyOZDDLFPWAJOOBP-UHFFFAOYSA-N
XLogP5.56
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.35
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The IUPAC name of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide (CID 60555410) is N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide.
What is the SMILES notation for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The canonical SMILES for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is Cc1cc(NC(=O)CCCc2ncc(-c3ccccc3)o2)n(-c2cccc(Br)c2)n1.
What is the InChIKey of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
The InChIKey is OZDDLFPWAJOOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21BrN4O2/c1-16-13-21(28(27-16)19-10-5-9-18(24)14-19)26-22(29)11-6-12-23-25-15-20(30-23)17-7-3-2-4-8-17/h2-5,7-10,13-15H,6,11-12H2,1H3,(H,26,29).
What are the key properties of N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide?
N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide has a molecular weight of 465.35 g/mol, XLogP of 5.56, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-bromophenyl)-5-methylpyrazol-3-yl]-4-(5-phenyl-1,3-oxazol-2-yl)butanamide is sourced from PubChem (CID 60555410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).