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

C8H9N5O — CID 82669645

IUPAC(1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@H](N)c1nnc(-c2cncnc2)o1
InChIInChI=1S/C8H9N5O/c1-5(9)7-12-13-8(14-7)6-2-10-4-11-3-6/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyMYHZFEHHFUDOMV-YFKPBYRVSA-N
MW191.19 g/mol
LogP0.55
Rot. Bonds2

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

(1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine (PubChem CID 82669645) has the molecular formula C8H9N5O and a molecular weight of 191.19 g/mol. Its IUPAC name is (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
PubChem CID82669645
Molecular FormulaC8H9N5O
Molecular Weight191.19 g/mol
Exact Mass191.08
IUPAC Name(1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine
SMILESC[C@H](N)c1nnc(-c2cncnc2)o1
InChIInChI=1S/C8H9N5O/c1-5(9)7-12-13-8(14-7)6-2-10-4-11-3-6/h2-5H,9H2,1H3/t5-/m0/s1
InChIKeyMYHZFEHHFUDOMV-YFKPBYRVSA-N
XLogP0.55
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The IUPAC name of (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine (CID 82669645) is (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine.
What is the SMILES notation for (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The canonical SMILES for (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine is C[C@H](N)c1nnc(-c2cncnc2)o1.
What is the InChIKey of (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
The InChIKey is MYHZFEHHFUDOMV-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H9N5O/c1-5(9)7-12-13-8(14-7)6-2-10-4-11-3-6/h2-5H,9H2,1H3/t5-/m0/s1.
What are the key properties of (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine?
(1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine has a molecular weight of 191.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-pyrimidin-5-yl-1,3,4-oxadiazol-2-yl)ethanamine is sourced from PubChem (CID 82669645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).