3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C20H18N4O — CID 53209732

IUPAC3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCC(CNc1ncnc2c(-c3ccccc3)noc12)c1ccccc1
InChIInChI=1S/C20H18N4O/c1-14(15-8-4-2-5-9-15)12-21-20-19-18(22-13-23-20)17(24-25-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,22,23)
InChIKeyAMGAZAKOUGQPJR-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.50
Rot. Bonds5

About 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53209732) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53209732
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC Name3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCC(CNc1ncnc2c(-c3ccccc3)noc12)c1ccccc1
InChIInChI=1S/C20H18N4O/c1-14(15-8-4-2-5-9-15)12-21-20-19-18(22-13-23-20)17(24-25-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,22,23)
InChIKeyAMGAZAKOUGQPJR-UHFFFAOYSA-N
XLogP4.50
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53209732) is 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is CC(CNc1ncnc2c(-c3ccccc3)noc12)c1ccccc1.
What is the InChIKey of 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is AMGAZAKOUGQPJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-14(15-8-4-2-5-9-15)12-21-20-19-18(22-13-23-20)17(24-25-19)16-10-6-3-7-11-16/h2-11,13-14H,12H2,1H3,(H,21,22,23).
What are the key properties of 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 330.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53209732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).