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

C11H16N4O — CID 65179272

IUPACN-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cnn(C)c2C)o1
InChIInChI=1S/C11H16N4O/c1-4-12-7-11-13-6-10(16-11)9-5-14-15(3)8(9)2/h5-6,12H,4,7H2,1-3H3
InChIKeyCVODNMNAIHKRBE-UHFFFAOYSA-N
MW220.28 g/mol
LogP1.49
Rot. Bonds4

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

N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 65179272) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID65179272
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC NameN-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cnn(C)c2C)o1
InChIInChI=1S/C11H16N4O/c1-4-12-7-11-13-6-10(16-11)9-5-14-15(3)8(9)2/h5-6,12H,4,7H2,1-3H3
InChIKeyCVODNMNAIHKRBE-UHFFFAOYSA-N
XLogP1.49
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 65179272) is N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2cnn(C)c2C)o1.
What is the InChIKey of N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is CVODNMNAIHKRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c1-4-12-7-11-13-6-10(16-11)9-5-14-15(3)8(9)2/h5-6,12H,4,7H2,1-3H3.
What are the key properties of N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 220.28 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,5-dimethylpyrazol-4-yl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 65179272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).