6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine

C23H17N5O — CID 68912858

IUPAC6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
SMILESCc1onc(-c2ccccc2)c1-c1ccc2nc(N)nc(-c3ccccc3)c2n1
InChIInChI=1S/C23H17N5O/c1-14-19(20(28-29-14)15-8-4-2-5-9-15)17-12-13-18-22(25-17)21(27-23(24)26-18)16-10-6-3-7-11-16/h2-13H,1H3,(H2,24,26,27)
InChIKeyZOBUBDOGBLDADU-UHFFFAOYSA-N
MW379.42 g/mol
LogP4.90
Rot. Bonds3

About 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine

6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine (PubChem CID 68912858) has the molecular formula C23H17N5O and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
PubChem CID68912858
Molecular FormulaC23H17N5O
Molecular Weight379.42 g/mol
Exact Mass379.14
IUPAC Name6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine
SMILESCc1onc(-c2ccccc2)c1-c1ccc2nc(N)nc(-c3ccccc3)c2n1
InChIInChI=1S/C23H17N5O/c1-14-19(20(28-29-14)15-8-4-2-5-9-15)17-12-13-18-22(25-17)21(27-23(24)26-18)16-10-6-3-7-11-16/h2-13H,1H3,(H2,24,26,27)
InChIKeyZOBUBDOGBLDADU-UHFFFAOYSA-N
XLogP4.90
TPSA90.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine (CID 68912858) is 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine is Cc1onc(-c2ccccc2)c1-c1ccc2nc(N)nc(-c3ccccc3)c2n1.
What is the InChIKey of 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is ZOBUBDOGBLDADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N5O/c1-14-19(20(28-29-14)15-8-4-2-5-9-15)17-12-13-18-22(25-17)21(27-23(24)26-18)16-10-6-3-7-11-16/h2-13H,1H3,(H2,24,26,27).
What are the key properties of 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine?
6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 379.42 g/mol, XLogP of 4.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-4-phenylpyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 68912858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).