N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide

C17H15BrCl2N4O2 — CID 19329963

IUPACN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)cc1Br
InChIInChI=1S/C17H15BrCl2N4O2/c1-10-13(18)9-24(22-10)6-2-5-21-17(25)15-8-16(26-23-15)12-4-3-11(19)7-14(12)20/h3-4,7-9H,2,5-6H2,1H3,(H,21,25)
InChIKeyAPIWNQXYQDEJPG-UHFFFAOYSA-N
MW458.14 g/mol
LogP4.74
Rot. Bonds6

About N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide

N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide (PubChem CID 19329963) has the molecular formula C17H15BrCl2N4O2 and a molecular weight of 458.14 g/mol. Its IUPAC name is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
PubChem CID19329963
Molecular FormulaC17H15BrCl2N4O2
Molecular Weight458.14 g/mol
Exact Mass455.98
IUPAC NameN-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
SMILESCc1nn(CCCNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)cc1Br
InChIInChI=1S/C17H15BrCl2N4O2/c1-10-13(18)9-24(22-10)6-2-5-21-17(25)15-8-16(26-23-15)12-4-3-11(19)7-14(12)20/h3-4,7-9H,2,5-6H2,1H3,(H,21,25)
InChIKeyAPIWNQXYQDEJPG-UHFFFAOYSA-N
XLogP4.74
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.14
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19330175
5-(2,4-dichlorophenyl)-N-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 19282655
N-[(4-bromo-1-methylpyrazol-5-yl)methyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide
CID 19581349
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-(4-chlorobenzoyl)benzamide
CID 19329951
5-(2,4-dichlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]-1,2-oxazole-3-carboxamide
CID 19330947
1-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-3-(4-chlorophenyl)urea
CID 19334044
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylpyrazole-3-carboxamide
CID 19475447
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-chloroacetamide
CID 19329976
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2,4-dimethylbenzamide
CID 19329942
2-[5-[3-(4-bromo-3-methylpyrazol-1-yl)propylcarbamoyl]pyrazol-1-yl]acetic acid
CID 19482587
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-methylbenzamide
CID 19329993
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-2-ethylbutanamide
CID 19329804

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide (CID 19329963) is N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide is Cc1nn(CCCNC(=O)c2cc(-c3ccc(Cl)cc3Cl)on2)cc1Br.
What is the InChIKey of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is APIWNQXYQDEJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrCl2N4O2/c1-10-13(18)9-24(22-10)6-2-5-21-17(25)15-8-16(26-23-15)12-4-3-11(19)7-14(12)20/h3-4,7-9H,2,5-6H2,1H3,(H,21,25).
What are the key properties of N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide?
N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 458.14 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-bromo-3-methylpyrazol-1-yl)propyl]-5-(2,4-dichlorophenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19329963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).