N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine

C12H13N5O — CID 103123638

IUPACN-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1ncoc1-c1cnn2ccncc12
InChIInChI=1S/C12H13N5O/c1-2-13-6-10-12(18-8-15-10)9-5-16-17-4-3-14-7-11(9)17/h3-5,7-8,13H,2,6H2,1H3
InChIKeyVYDFFWCJTPCRAS-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.49
Rot. Bonds4

About N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine

N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine (PubChem CID 103123638) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
PubChem CID103123638
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC NameN-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine
SMILESCCNCc1ncoc1-c1cnn2ccncc12
InChIInChI=1S/C12H13N5O/c1-2-13-6-10-12(18-8-15-10)9-5-16-17-4-3-14-7-11(9)17/h3-5,7-8,13H,2,6H2,1H3
InChIKeyVYDFFWCJTPCRAS-UHFFFAOYSA-N
XLogP1.49
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(bromomethyl)-5-pyrazolo[1,5-a]pyridin-3-yl-1,3-oxazole
CID 103123681
N-[(5-tert-butyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79144683
N-[[5-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79140406
N-[[5-(2,4-dichlorophenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145623
N,4-diethyl-5-pyrazolo[1,5-a]pyrazin-3-yl-1,2,4-triazol-3-amine
CID 103117517
N-(imidazo[1,2-a]pyrazin-3-ylmethyl)ethanamine
CID 115674360
N-[[5-(5-methylfuran-3-yl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 114824029
N-[(5-propyl-1,3-oxazol-4-yl)methyl]ethanamine
CID 79146098
N-[[5-(3-propoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 79145437
N-[[5-(4-bromo-2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]ethanamine
CID 113296266
N-[2-(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-2-yl)ethyl]propan-2-amine
CID 103123443
N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103127200

Frequently Asked Questions

What is the IUPAC name of N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine (CID 103123638) is N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine is CCNCc1ncoc1-c1cnn2ccncc12.
What is the InChIKey of N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
The InChIKey is VYDFFWCJTPCRAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-2-13-6-10-12(18-8-15-10)9-5-16-17-4-3-14-7-11(9)17/h3-5,7-8,13H,2,6H2,1H3.
What are the key properties of N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine?
N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine has a molecular weight of 243.27 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-pyrazolo[1,5-a]pyrazin-3-yl-1,3-oxazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 103123638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).