3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine

C15H14N4O3 — CID 67196155

IUPAC3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2noc(N)c2-c2ccncn2)cc1OC
InChIInChI=1S/C15H14N4O3/c1-20-11-4-3-9(7-12(11)21-2)14-13(15(16)22-19-14)10-5-6-17-8-18-10/h3-8H,16H2,1-2H3
InChIKeyJSPIFMFNOMSOHZ-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.40
Rot. Bonds4

About 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine

3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine (PubChem CID 67196155) has the molecular formula C15H14N4O3 and a molecular weight of 298.30 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
PubChem CID67196155
Molecular FormulaC15H14N4O3
Molecular Weight298.30 g/mol
Exact Mass298.11
IUPAC Name3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2noc(N)c2-c2ccncn2)cc1OC
InChIInChI=1S/C15H14N4O3/c1-20-11-4-3-9(7-12(11)21-2)14-13(15(16)22-19-14)10-5-6-17-8-18-10/h3-8H,16H2,1-2H3
InChIKeyJSPIFMFNOMSOHZ-UHFFFAOYSA-N
XLogP2.40
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine (CID 67196155) is 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine is COc1ccc(-c2noc(N)c2-c2ccncn2)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
The InChIKey is JSPIFMFNOMSOHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O3/c1-20-11-4-3-9(7-12(11)21-2)14-13(15(16)22-19-14)10-5-6-17-8-18-10/h3-8H,16H2,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine?
3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine has a molecular weight of 298.30 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-pyrimidin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 67196155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).