2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one

C19H22N8O3 — CID 174641025

IUPAC2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one
SMILESCC(C(=O)C(C)c1coc(Cn2ccc(N)n2)n1)c1coc(Cn2ccc(N)n2)n1
InChIInChI=1S/C19H22N8O3/c1-11(13-9-29-17(22-13)7-26-5-3-15(20)24-26)19(28)12(2)14-10-30-18(23-14)8-27-6-4-16(21)25-27/h3-6,9-12H,7-8H2,1-2H3,(H2,20,24)(H2,21,25)
InChIKeyJRIUCHFMDVJQOX-UHFFFAOYSA-N
MW410.44 g/mol
LogP1.79
Rot. Bonds8

About 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one

2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one (PubChem CID 174641025) has the molecular formula C19H22N8O3 and a molecular weight of 410.44 g/mol. Its IUPAC name is 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one.

Molecular Properties

Compound Name2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one
PubChem CID174641025
Molecular FormulaC19H22N8O3
Molecular Weight410.44 g/mol
Exact Mass410.18
IUPAC Name2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one
SMILESCC(C(=O)C(C)c1coc(Cn2ccc(N)n2)n1)c1coc(Cn2ccc(N)n2)n1
InChIInChI=1S/C19H22N8O3/c1-11(13-9-29-17(22-13)7-26-5-3-15(20)24-26)19(28)12(2)14-10-30-18(23-14)8-27-6-4-16(21)25-27/h3-6,9-12H,7-8H2,1-2H3,(H2,20,24)(H2,21,25)
InChIKeyJRIUCHFMDVJQOX-UHFFFAOYSA-N
XLogP1.79
TPSA156.81 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

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Related Compounds

2,4-bis[2-(hydroxymethyl)-1,3-oxazol-4-yl]pentan-3-one
CID 174628116
1-[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-5-yl]ethanone
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2-[(3-acetylpyrazol-1-yl)methyl]-1,3-oxazole-4-carbaldehyde
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4-(3-aminopyrazol-1-yl)-3-hydroxy-3-methylbutan-2-one
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2-(3-aminopyrazol-1-yl)acetic acid;hydrochloride
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2-[[2-(3-aminopyrazol-1-yl)acetyl]amino]propanamide
CID 62101706
2-[2-(3-aminopyrazol-1-yl)acetyl]oxypropanoic acid
CID 62111762
2-(3-aminopyrazol-1-yl)-N-butan-2-ylacetamide
CID 60783220
2-(3-aminopyrazol-1-yl)-N-methylacetamide
CID 60783095
1-(2,2-dimethylpropyl)pyrazol-3-amine
CID 21060233
2-(3-aminopyrazol-1-yl)-N-(4-hydroxybutan-2-yl)acetamide
CID 83176621
1-(2-methylbutyl)pyrazol-3-amine
CID 62103459

Frequently Asked Questions

What is the IUPAC name of 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one?
The IUPAC name of 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one (CID 174641025) is 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one.
What is the SMILES notation for 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one?
The canonical SMILES for 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one is CC(C(=O)C(C)c1coc(Cn2ccc(N)n2)n1)c1coc(Cn2ccc(N)n2)n1.
What is the InChIKey of 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one?
The InChIKey is JRIUCHFMDVJQOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O3/c1-11(13-9-29-17(22-13)7-26-5-3-15(20)24-26)19(28)12(2)14-10-30-18(23-14)8-27-6-4-16(21)25-27/h3-6,9-12H,7-8H2,1-2H3,(H2,20,24)(H2,21,25).
What are the key properties of 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one?
2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one has a molecular weight of 410.44 g/mol, XLogP of 1.79, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis[2-[(3-aminopyrazol-1-yl)methyl]-1,3-oxazol-4-yl]pentan-3-one is sourced from PubChem (CID 174641025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).