2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole

C13H16ClN5O — CID 106389161

IUPAC2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)n2c(CCl)nc3c(C)nn(C)c32)o1
InChIInChI=1S/C13H16ClN5O/c1-7-6-15-12(20-7)9(3)19-10(5-14)16-11-8(2)17-18(4)13(11)19/h6,9H,5H2,1-4H3
InChIKeyASLHRYYMZLZGSR-UHFFFAOYSA-N
MW293.76 g/mol
LogP2.72
Rot. Bonds3

About 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole

2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole (PubChem CID 106389161) has the molecular formula C13H16ClN5O and a molecular weight of 293.76 g/mol. Its IUPAC name is 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole.

Molecular Properties

Compound Name2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole
PubChem CID106389161
Molecular FormulaC13H16ClN5O
Molecular Weight293.76 g/mol
Exact Mass293.10
IUPAC Name2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole
SMILESCc1cnc(C(C)n2c(CCl)nc3c(C)nn(C)c32)o1
InChIInChI=1S/C13H16ClN5O/c1-7-6-15-12(20-7)9(3)19-10(5-14)16-11-8(2)17-18(4)13(11)19/h6,9H,5H2,1-4H3
InChIKeyASLHRYYMZLZGSR-UHFFFAOYSA-N
XLogP2.72
TPSA61.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole?
The IUPAC name of 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole (CID 106389161) is 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole.
What is the SMILES notation for 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole?
The canonical SMILES for 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole is Cc1cnc(C(C)n2c(CCl)nc3c(C)nn(C)c32)o1.
What is the InChIKey of 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole?
The InChIKey is ASLHRYYMZLZGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5O/c1-7-6-15-12(20-7)9(3)19-10(5-14)16-11-8(2)17-18(4)13(11)19/h6,9H,5H2,1-4H3.
What are the key properties of 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole?
2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole has a molecular weight of 293.76 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[5-(chloromethyl)-1,3-dimethylimidazo[4,5-d]pyrazol-6-yl]ethyl]-5-methyl-1,3-oxazole is sourced from PubChem (CID 106389161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).