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

C25H20N4O3 — CID 163322831

IUPACN-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C25H20N4O3/c1-30-20-11-7-17(8-12-20)15-31-21-13-9-19(10-14-21)28-24-22-23(18-5-3-2-4-6-18)29-32-25(22)27-16-26-24/h2-14,16H,15H2,1H3,(H,26,27,28)
InChIKeyBTIBGSHBZXFKMY-UHFFFAOYSA-N
MW424.46 g/mol
LogP5.62
Rot. Bonds7

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

N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 163322831) has the molecular formula C25H20N4O3 and a molecular weight of 424.46 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID163322831
Molecular FormulaC25H20N4O3
Molecular Weight424.46 g/mol
Exact Mass424.15
IUPAC NameN-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1ccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C25H20N4O3/c1-30-20-11-7-17(8-12-20)15-31-21-13-9-19(10-14-21)28-24-22-23(18-5-3-2-4-6-18)29-32-25(22)27-16-26-24/h2-14,16H,15H2,1H3,(H,26,27,28)
InChIKeyBTIBGSHBZXFKMY-UHFFFAOYSA-N
XLogP5.62
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.46
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 163322831) is N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1ccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is BTIBGSHBZXFKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N4O3/c1-30-20-11-7-17(8-12-20)15-31-21-13-9-19(10-14-21)28-24-22-23(18-5-3-2-4-6-18)29-32-25(22)27-16-26-24/h2-14,16H,15H2,1H3,(H,26,27,28).
What are the key properties of N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 424.46 g/mol, XLogP of 5.62, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163322831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).