1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine

C9H10N4O — CID 168859082

IUPAC1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine
SMILESCC(N)c1ncoc1-c1ncccn1
InChIInChI=1S/C9H10N4O/c1-6(10)7-8(14-5-13-7)9-11-3-2-4-12-9/h2-6H,10H2,1H3
InChIKeyGQBZZHRTTMFPSD-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.15
Rot. Bonds2

About 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine

1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine (PubChem CID 168859082) has the molecular formula C9H10N4O and a molecular weight of 190.21 g/mol. Its IUPAC name is 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine
PubChem CID168859082
Molecular FormulaC9H10N4O
Molecular Weight190.21 g/mol
Exact Mass190.09
IUPAC Name1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine
SMILESCC(N)c1ncoc1-c1ncccn1
InChIInChI=1S/C9H10N4O/c1-6(10)7-8(14-5-13-7)9-11-3-2-4-12-9/h2-6H,10H2,1H3
InChIKeyGQBZZHRTTMFPSD-UHFFFAOYSA-N
XLogP1.15
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine?
The IUPAC name of 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine (CID 168859082) is 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine.
What is the SMILES notation for 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine?
The canonical SMILES for 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine is CC(N)c1ncoc1-c1ncccn1.
What is the InChIKey of 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine?
The InChIKey is GQBZZHRTTMFPSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N4O/c1-6(10)7-8(14-5-13-7)9-11-3-2-4-12-9/h2-6H,10H2,1H3.
What are the key properties of 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine?
1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine has a molecular weight of 190.21 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrimidin-2-yl-1,3-oxazol-4-yl)ethanamine is sourced from PubChem (CID 168859082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).