2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole

C12H15N3O — CID 70917843

IUPAC2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole
SMILESCCC(CC)c1nc(-c2ncccn2)co1
InChIInChI=1S/C12H15N3O/c1-3-9(4-2)12-15-10(8-16-12)11-13-6-5-7-14-11/h5-9H,3-4H2,1-2H3
InChIKeyMRBCQGFHVGYNLZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.04
Rot. Bonds4

About 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole

2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole (PubChem CID 70917843) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole
PubChem CID70917843
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole
SMILESCCC(CC)c1nc(-c2ncccn2)co1
InChIInChI=1S/C12H15N3O/c1-3-9(4-2)12-15-10(8-16-12)11-13-6-5-7-14-11/h5-9H,3-4H2,1-2H3
InChIKeyMRBCQGFHVGYNLZ-UHFFFAOYSA-N
XLogP3.04
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole?
The IUPAC name of 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole (CID 70917843) is 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole.
What is the SMILES notation for 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole?
The canonical SMILES for 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole is CCC(CC)c1nc(-c2ncccn2)co1.
What is the InChIKey of 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole?
The InChIKey is MRBCQGFHVGYNLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-3-9(4-2)12-15-10(8-16-12)11-13-6-5-7-14-11/h5-9H,3-4H2,1-2H3.
What are the key properties of 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole?
2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole has a molecular weight of 217.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentan-3-yl-4-pyrimidin-2-yl-1,3-oxazole is sourced from PubChem (CID 70917843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).