1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea

C10H9BrN4O2 — CID 44553521

IUPAC1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1nc2cc(Br)cnc2o1
InChIInChI=1S/C10H9BrN4O2/c1-2-3-12-9(16)15-10-14-7-4-6(11)5-13-8(7)17-10/h2,4-5H,1,3H2,(H2,12,14,15,16)
InChIKeyGKHWDUMHXLCVPQ-UHFFFAOYSA-N
MW297.11 g/mol
LogP2.29
Rot. Bonds3

About 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea

1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea (PubChem CID 44553521) has the molecular formula C10H9BrN4O2 and a molecular weight of 297.11 g/mol. Its IUPAC name is 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea.

Molecular Properties

Compound Name1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea
PubChem CID44553521
Molecular FormulaC10H9BrN4O2
Molecular Weight297.11 g/mol
Exact Mass295.99
IUPAC Name1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea
SMILESC=CCNC(=O)Nc1nc2cc(Br)cnc2o1
InChIInChI=1S/C10H9BrN4O2/c1-2-3-12-9(16)15-10-14-7-4-6(11)5-13-8(7)17-10/h2,4-5H,1,3H2,(H2,12,14,15,16)
InChIKeyGKHWDUMHXLCVPQ-UHFFFAOYSA-N
XLogP2.29
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.11
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

CID 11447932
CID 11447932
CID 11596607
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CID 18671456
CID 18671456
CID 55252641
CID 55252641
CID 84070730
CID 84070730
CID 86775533
CID 86775533
CID 11704166
CID 11704166
CID 11710811
CID 11710811
CID 68810007
CID 68810007
CID 68810867
CID 68810867
CID 68812224
CID 68812224
CID 134284062
CID 134284062

Frequently Asked Questions

What is the IUPAC name of 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea?
The IUPAC name of 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea (CID 44553521) is 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea.
What is the SMILES notation for 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea?
The canonical SMILES for 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea is C=CCNC(=O)Nc1nc2cc(Br)cnc2o1.
What is the InChIKey of 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea?
The InChIKey is GKHWDUMHXLCVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O2/c1-2-3-12-9(16)15-10-14-7-4-6(11)5-13-8(7)17-10/h2,4-5H,1,3H2,(H2,12,14,15,16).
What are the key properties of 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea?
1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea has a molecular weight of 297.11 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-bromo-[1,3]oxazolo[5,4-b]pyridin-2-yl)-3-prop-2-enylurea is sourced from PubChem (CID 44553521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).