3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine

C13H11N3O2 — CID 80524679

IUPAC3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCc1ccoc1-c1noc(N)c1-c1ccncc1
InChIInChI=1S/C13H11N3O2/c1-8-4-7-17-12(8)11-10(13(14)18-16-11)9-2-5-15-6-3-9/h2-7H,14H2,1H3
InChIKeyQVYWJTIMNMJADG-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.89
Rot. Bonds2

About 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine

3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine (PubChem CID 80524679) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
PubChem CID80524679
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine
SMILESCc1ccoc1-c1noc(N)c1-c1ccncc1
InChIInChI=1S/C13H11N3O2/c1-8-4-7-17-12(8)11-10(13(14)18-16-11)9-2-5-15-6-3-9/h2-7H,14H2,1H3
InChIKeyQVYWJTIMNMJADG-UHFFFAOYSA-N
XLogP2.89
TPSA78.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine (CID 80524679) is 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine is Cc1ccoc1-c1noc(N)c1-c1ccncc1.
What is the InChIKey of 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
The InChIKey is QVYWJTIMNMJADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-4-7-17-12(8)11-10(13(14)18-16-11)9-2-5-15-6-3-9/h2-7H,14H2,1H3.
What are the key properties of 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine?
3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine has a molecular weight of 241.25 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylfuran-2-yl)-4-pyridin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 80524679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).