(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine

C9H11N3O — CID 84655980

IUPAC(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
SMILESCCc1nc2c(CN)ccnc2o1
InChIInChI=1S/C9H11N3O/c1-2-7-12-8-6(5-10)3-4-11-9(8)13-7/h3-4H,2,5,10H2,1H3
InChIKeyMDWVLOXLFHKMIN-UHFFFAOYSA-N
MW177.21 g/mol
LogP1.24
Rot. Bonds2

About (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine

(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine (PubChem CID 84655980) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
PubChem CID84655980
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
SMILESCCc1nc2c(CN)ccnc2o1
InChIInChI=1S/C9H11N3O/c1-2-7-12-8-6(5-10)3-4-11-9(8)13-7/h3-4H,2,5,10H2,1H3
InChIKeyMDWVLOXLFHKMIN-UHFFFAOYSA-N
XLogP1.24
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
CID 84659318
7-bromo-2-ethyl-[1,3]oxazolo[5,4-b]pyridine
CID 84690907
(7-propan-2-yloxy-[1,3]oxazolo[5,4-b]pyridin-2-yl)methanamine
CID 84675069
(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-5-yl)methanamine
CID 84655982
(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-6-yl)methanamine
CID 84655981
[2-(2-ethylpyrimidin-4-yl)phenyl]methanamine
CID 105466934
(2-ethyl-5-methyl-1,3-oxazol-4-yl)methanamine
CID 82502441
(2-ethyl-4-pyridinyl)methanamine;hydrochloride
CID 138109972
(2-ethyl-4-methyl-1,3-oxazol-5-yl)methanamine;hydrochloride
CID 119031976
(6-ethyl-4-propan-2-ylquinolin-8-yl)methanamine
CID 167327617
(8-methylquinolin-4-yl)methanamine
CID 66637118
(3-propan-2-yltriazolo[4,5-b]pyridin-7-yl)methanamine
CID 84663398

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine?
The IUPAC name of (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine (CID 84655980) is (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine.
What is the SMILES notation for (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine?
The canonical SMILES for (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine is CCc1nc2c(CN)ccnc2o1.
What is the InChIKey of (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine?
The InChIKey is MDWVLOXLFHKMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-2-7-12-8-6(5-10)3-4-11-9(8)13-7/h3-4H,2,5,10H2,1H3.
What are the key properties of (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine?
(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine has a molecular weight of 177.21 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine is sourced from PubChem (CID 84655980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).