6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

C8H9N3O2 — CID 115015321

IUPAC6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCCc1nc2oc(=O)[nH]c2cc1N
InChIInChI=1S/C8H9N3O2/c1-2-5-4(9)3-6-7(10-5)13-8(12)11-6/h3H,2,9H2,1H3,(H,11,12)
InChIKeyWKGJEVIXBGKKEQ-UHFFFAOYSA-N
MW179.18 g/mol
LogP0.66
Rot. Bonds1

About 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one

6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (PubChem CID 115015321) has the molecular formula C8H9N3O2 and a molecular weight of 179.18 g/mol. Its IUPAC name is 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.

Molecular Properties

Compound Name6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
PubChem CID115015321
Molecular FormulaC8H9N3O2
Molecular Weight179.18 g/mol
Exact Mass179.07
IUPAC Name6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
SMILESCCc1nc2oc(=O)[nH]c2cc1N
InChIInChI=1S/C8H9N3O2/c1-2-5-4(9)3-6-7(10-5)13-8(12)11-6/h3H,2,9H2,1H3,(H,11,12)
InChIKeyWKGJEVIXBGKKEQ-UHFFFAOYSA-N
XLogP0.66
TPSA84.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.18
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-5-piperidin-4-yl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 115040087
2-chloro-6-ethylpyridine-3,5-diamine
CID 105435020
6-chloro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82338154
6-(methylaminomethyl)-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 84656793
6-amino-5-octoxy-3H-1,3-benzoxazol-2-one
CID 115425928
6-fluoro-1H-[1,3]oxazolo[5,4-b]pyridin-2-one
CID 82338152
5-acetyl-7-amino-3H-1,3-benzoxazol-2-one
CID 82095318
6-amino-5-(propylamino)-3H-1,3-benzoxazol-2-one
CID 115425024
7-tert-butyl-5-ethyl-3H-1,3-benzoxazol-2-one
CID 62369360
6-amino-5-(2-methoxyethoxy)-3H-1,3-benzoxazol-2-one
CID 115425894
6-amino-5-(3-methoxypropoxy)-3H-1,3-benzoxazol-2-one
CID 113307464
6-amino-5-[butan-2-yl(ethyl)amino]-3H-1,3-benzoxazol-2-one
CID 113307371

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The IUPAC name of 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one (CID 115015321) is 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one.
What is the SMILES notation for 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The canonical SMILES for 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is CCc1nc2oc(=O)[nH]c2cc1N.
What is the InChIKey of 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
The InChIKey is WKGJEVIXBGKKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O2/c1-2-5-4(9)3-6-7(10-5)13-8(12)11-6/h3H,2,9H2,1H3,(H,11,12).
What are the key properties of 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one?
6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one has a molecular weight of 179.18 g/mol, XLogP of 0.66, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-ethyl-1H-[1,3]oxazolo[5,4-b]pyridin-2-one is sourced from PubChem (CID 115015321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).