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

C12H15N3O — CID 80523942

IUPAC5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESCC(C)Cc1onc(N)c1-c1cccnc1
InChIInChI=1S/C12H15N3O/c1-8(2)6-10-11(12(13)15-16-10)9-4-3-5-14-7-9/h3-5,7-8H,6H2,1-2H3,(H2,13,15)
InChIKeyUCQCVJCMTKBUKX-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.52
Rot. Bonds3

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

5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (PubChem CID 80523942) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
PubChem CID80523942
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
SMILESCC(C)Cc1onc(N)c1-c1cccnc1
InChIInChI=1S/C12H15N3O/c1-8(2)6-10-11(12(13)15-16-10)9-4-3-5-14-7-9/h3-5,7-8H,6H2,1-2H3,(H2,13,15)
InChIKeyUCQCVJCMTKBUKX-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine (CID 80523942) is 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is CC(C)Cc1onc(N)c1-c1cccnc1.
What is the InChIKey of 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
The InChIKey is UCQCVJCMTKBUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-8(2)6-10-11(12(13)15-16-10)9-4-3-5-14-7-9/h3-5,7-8H,6H2,1-2H3,(H2,13,15).
What are the key properties of 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine?
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine has a molecular weight of 217.27 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 80523942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).