1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea

C16H16N4O2 — CID 24712013

IUPAC1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C16H16N4O2/c1-2-8-18-16(21)19-12-6-3-5-11(10-12)15-20-14-13(22-15)7-4-9-17-14/h3-7,9-10H,2,8H2,1H3,(H2,18,19,21)
InChIKeyBNNJBWCWRGXSKG-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.42
Rot. Bonds4

About 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea

1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea (PubChem CID 24712013) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea.

Molecular Properties

Compound Name1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea
PubChem CID24712013
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea
SMILESCCCNC(=O)Nc1cccc(-c2nc3ncccc3o2)c1
InChIInChI=1S/C16H16N4O2/c1-2-8-18-16(21)19-12-6-3-5-11(10-12)15-20-14-13(22-15)7-4-9-17-14/h3-7,9-10H,2,8H2,1H3,(H2,18,19,21)
InChIKeyBNNJBWCWRGXSKG-UHFFFAOYSA-N
XLogP3.42
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea?
The IUPAC name of 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea (CID 24712013) is 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea.
What is the SMILES notation for 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea?
The canonical SMILES for 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea is CCCNC(=O)Nc1cccc(-c2nc3ncccc3o2)c1.
What is the InChIKey of 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea?
The InChIKey is BNNJBWCWRGXSKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-8-18-16(21)19-12-6-3-5-11(10-12)15-20-14-13(22-15)7-4-9-17-14/h3-7,9-10H,2,8H2,1H3,(H2,18,19,21).
What are the key properties of 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea?
1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea has a molecular weight of 296.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-([1,3]oxazolo[4,5-b]pyridin-2-yl)phenyl]-3-propylurea is sourced from PubChem (CID 24712013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).