N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

C16H18BrFN2O2 — CID 55580286

IUPACN-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H18BrFN2O2/c1-9(2)15-14(10(3)19-22-15)16(21)20(4)8-11-7-12(17)5-6-13(11)18/h5-7,9H,8H2,1-4H3
InChIKeyMODXAGAZUWGIHU-UHFFFAOYSA-N
MW369.23 g/mol
LogP4.28
Rot. Bonds4

About N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide

N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 55580286) has the molecular formula C16H18BrFN2O2 and a molecular weight of 369.23 g/mol. Its IUPAC name is N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
PubChem CID55580286
Molecular FormulaC16H18BrFN2O2
Molecular Weight369.23 g/mol
Exact Mass368.05
IUPAC NameN-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(C(C)C)c1C(=O)N(C)Cc1cc(Br)ccc1F
InChIInChI=1S/C16H18BrFN2O2/c1-9(2)15-14(10(3)19-22-15)16(21)20(4)8-11-7-12(17)5-6-13(11)18/h5-7,9H,8H2,1-4H3
InChIKeyMODXAGAZUWGIHU-UHFFFAOYSA-N
XLogP4.28
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.23
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-dimethyl-N-(2-methylpropyl)-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 134005900
N-[(4-cyanophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39861861
N-(3-hydroxybutyl)-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 113248560
N,3-dimethyl-N-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 64511025
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylbutanamide
CID 115154295
2-acetamido-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylbutanamide
CID 134053978
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 55579436
(2S,3S)-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,3-dimethylpentanamide
CID 166372216
N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N,2-dimethylpropanamide
CID 115178878
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-2-hydroxy-N-methylpropanamide
CID 115180686
2-(3-bromo-4-fluorophenyl)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylacetamide
CID 55885893
2-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethylpentanamide
CID 119764798

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide (CID 55580286) is N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(C(C)C)c1C(=O)N(C)Cc1cc(Br)ccc1F.
What is the InChIKey of N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is MODXAGAZUWGIHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18BrFN2O2/c1-9(2)15-14(10(3)19-22-15)16(21)20(4)8-11-7-12(17)5-6-13(11)18/h5-7,9H,8H2,1-4H3.
What are the key properties of N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide?
N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 369.23 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-fluorophenyl)methyl]-N,3-dimethyl-5-propan-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 55580286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).