N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

C19H13BrN4O2 — CID 55764988

IUPACN-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H13BrN4O2/c20-14-11-21-24(12-14)17-9-5-4-8-15(17)22-19(25)18-10-16(23-26-18)13-6-2-1-3-7-13/h1-12H,(H,22,25)
InChIKeyYSLINVAUDYFIGR-UHFFFAOYSA-N
MW409.24 g/mol
LogP4.54
Rot. Bonds4

About N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide

N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (PubChem CID 55764988) has the molecular formula C19H13BrN4O2 and a molecular weight of 409.24 g/mol. Its IUPAC name is N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
PubChem CID55764988
Molecular FormulaC19H13BrN4O2
Molecular Weight409.24 g/mol
Exact Mass408.02
IUPAC NameN-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Br)cn1)c1cc(-c2ccccc2)no1
InChIInChI=1S/C19H13BrN4O2/c20-14-11-21-24(12-14)17-9-5-4-8-15(17)22-19(25)18-10-16(23-26-18)13-6-2-1-3-7-13/h1-12H,(H,22,25)
InChIKeyYSLINVAUDYFIGR-UHFFFAOYSA-N
XLogP4.54
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.24
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-N-[2-(4-bromopyrazol-1-yl)phenyl]thiophene-2-carboxamide
CID 55764806
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 55699242
N-[2-(4-bromopyrazol-1-yl)phenyl]-4-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55764650
N-(3-aminophenyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 89210653
N-(2,6-dimethyl-3-pyridinyl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 99577393
N-[2-(2-methoxyethyl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide
CID 166217471
N-[2-(4-bromopyrazol-1-yl)phenyl]-1-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 112831209
(2R)-N-[2-(4-bromopyrazol-1-yl)phenyl]-2-methoxybutanamide
CID 95162014
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-7-carboxamide
CID 55699495
N-(1-methylimidazol-2-yl)-3-phenyl-1,2-oxazole-5-carboxamide
CID 134700846
N-[2-(4-bromopyrazol-1-yl)phenyl]-2-cyclopent-2-en-1-ylacetamide
CID 154836216
N-[2-(4-bromopyrazol-1-yl)phenyl]-1,4-dithiane-2-carboxamide
CID 86998596

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide (CID 55764988) is N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is O=C(Nc1ccccc1-n1cc(Br)cn1)c1cc(-c2ccccc2)no1.
What is the InChIKey of N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
The InChIKey is YSLINVAUDYFIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13BrN4O2/c20-14-11-21-24(12-14)17-9-5-4-8-15(17)22-19(25)18-10-16(23-26-18)13-6-2-1-3-7-13/h1-12H,(H,22,25).
What are the key properties of N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide?
N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide has a molecular weight of 409.24 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromopyrazol-1-yl)phenyl]-3-phenyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 55764988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).