N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

C13H19BrN4O — CID 55072648

IUPACN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2cc(CNC(C)C)no2)c(C)c1Br
InChIInChI=1S/C13H19BrN4O/c1-8(2)15-6-11-5-12(19-17-11)7-18-10(4)13(14)9(3)16-18/h5,8,15H,6-7H2,1-4H3
InChIKeyZGFGKJVWRIHUEK-UHFFFAOYSA-N
MW327.23 g/mol
LogP2.80
Rot. Bonds5

About N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine

N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (PubChem CID 55072648) has the molecular formula C13H19BrN4O and a molecular weight of 327.23 g/mol. Its IUPAC name is N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
PubChem CID55072648
Molecular FormulaC13H19BrN4O
Molecular Weight327.23 g/mol
Exact Mass326.07
IUPAC NameN-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
SMILESCc1nn(Cc2cc(CNC(C)C)no2)c(C)c1Br
InChIInChI=1S/C13H19BrN4O/c1-8(2)15-6-11-5-12(19-17-11)7-18-10(4)13(14)9(3)16-18/h5,8,15H,6-7H2,1-4H3
InChIKeyZGFGKJVWRIHUEK-UHFFFAOYSA-N
XLogP2.80
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.23
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(pyrrolidin-1-ylmethyl)-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62437894
N-[[5-[(4-methylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62449283
N-[[5-[(3,4,5-trimethylpiperazin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 114540107
N-[[4-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,3-thiazol-2-yl]methyl]propan-2-amine
CID 62448808
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]-2-methylpropan-1-amine
CID 62441163
N-[[5-[(3-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 55074054
N-[[5-[(4-ethyl-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62440795
N-[[5-[(2-methylpyrrolidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 62438242
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446739
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-3-methylfuran-2-yl]methyl]ethanamine
CID 62448437
N-[[5-[(3-methoxypiperidin-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine
CID 102968147
N-[[2-methyl-5-[(3,4,5-trimethylpyrazol-1-yl)methyl]furan-3-yl]methyl]propan-2-amine
CID 62440402

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine (CID 55072648) is N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is Cc1nn(Cc2cc(CNC(C)C)no2)c(C)c1Br.
What is the InChIKey of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
The InChIKey is ZGFGKJVWRIHUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN4O/c1-8(2)15-6-11-5-12(19-17-11)7-18-10(4)13(14)9(3)16-18/h5,8,15H,6-7H2,1-4H3.
What are the key properties of N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine?
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine has a molecular weight of 327.23 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-1,2-oxazol-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 55072648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).