N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine

C25H20N4O — CID 35572888

IUPACN-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)cc1
InChIInChI=1S/C25H20N4O/c1-17-12-14-18(15-13-17)16-26-23-21-24(28-22(27-23)19-8-4-2-5-9-19)29-25(30-21)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,26,27,28)
InChIKeyUKEMYHFGRFLSNT-UHFFFAOYSA-N
MW392.46 g/mol
LogP5.87
Rot. Bonds5

About N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine

N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 35572888) has the molecular formula C25H20N4O and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID35572888
Molecular FormulaC25H20N4O
Molecular Weight392.46 g/mol
Exact Mass392.16
IUPAC NameN-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCc1ccc(CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)cc1
InChIInChI=1S/C25H20N4O/c1-17-12-14-18(15-13-17)16-26-23-21-24(28-22(27-23)19-8-4-2-5-9-19)29-25(30-21)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,26,27,28)
InChIKeyUKEMYHFGRFLSNT-UHFFFAOYSA-N
XLogP5.87
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine (CID 35572888) is N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine is Cc1ccc(CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is UKEMYHFGRFLSNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O/c1-17-12-14-18(15-13-17)16-26-23-21-24(28-22(27-23)19-8-4-2-5-9-19)29-25(30-21)20-10-6-3-7-11-20/h2-15H,16H2,1H3,(H,26,27,28).
What are the key properties of N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine?
N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 392.46 g/mol, XLogP of 5.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 35572888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).