N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

C20H23BrN4O3 — CID 19443092

IUPACN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1OCc1c(C(=O)NCCn2nc(C)c(Br)c2C)noc1C
InChIInChI=1S/C20H23BrN4O3/c1-12-7-5-6-8-17(12)27-11-16-15(4)28-24-19(16)20(26)22-9-10-25-14(3)18(21)13(2)23-25/h5-8H,9-11H2,1-4H3,(H,22,26)
InChIKeyBMOAOALKZWODAG-UHFFFAOYSA-N
MW447.33 g/mol
LogP3.88
Rot. Bonds7

About N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide

N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 19443092) has the molecular formula C20H23BrN4O3 and a molecular weight of 447.33 g/mol. Its IUPAC name is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
PubChem CID19443092
Molecular FormulaC20H23BrN4O3
Molecular Weight447.33 g/mol
Exact Mass446.10
IUPAC NameN-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccccc1OCc1c(C(=O)NCCn2nc(C)c(Br)c2C)noc1C
InChIInChI=1S/C20H23BrN4O3/c1-12-7-5-6-8-17(12)27-11-16-15(4)28-24-19(16)20(26)22-9-10-25-14(3)18(21)13(2)23-25/h5-8H,9-11H2,1-4H3,(H,22,26)
InChIKeyBMOAOALKZWODAG-UHFFFAOYSA-N
XLogP3.88
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.33
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490593
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444848
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,4-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19484323
N-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-4-[(2,5-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19444919
N-[3,5-dimethyl-1-[(2-methylphenyl)methyl]pyrazol-4-yl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442901
N-(1-benzyl-3,5-dimethylpyrazol-4-yl)-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442921
N-[1-[(4-chlorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19443078
N-[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-4-[(2-chlorophenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19443431
N-cyclopentyl-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442893
4-[(2,3-dimethylphenoxy)methyl]-N-(2-methoxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 19490600
N-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 19442967
N-[2-(4-chloropyrazol-1-yl)ethyl]-4-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 19490613

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide (CID 19443092) is N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is Cc1ccccc1OCc1c(C(=O)NCCn2nc(C)c(Br)c2C)noc1C.
What is the InChIKey of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is BMOAOALKZWODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23BrN4O3/c1-12-7-5-6-8-17(12)27-11-16-15(4)28-24-19(16)20(26)22-9-10-25-14(3)18(21)13(2)23-25/h5-8H,9-11H2,1-4H3,(H,22,26).
What are the key properties of N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide?
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 447.33 g/mol, XLogP of 3.88, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]-5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 19443092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).