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

C24H17FN4O2 — CID 163322894

IUPACN-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)c1
InChIInChI=1S/C24H17FN4O2/c25-18-8-4-5-16(13-18)14-30-20-11-9-19(10-12-20)28-23-21-22(17-6-2-1-3-7-17)29-31-24(21)27-15-26-23/h1-13,15H,14H2,(H,26,27,28)
InChIKeyPMWGHYURIDXSAI-UHFFFAOYSA-N
MW412.42 g/mol
LogP5.75
Rot. Bonds6

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

N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 163322894) has the molecular formula C24H17FN4O2 and a molecular weight of 412.42 g/mol. Its IUPAC name is N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID163322894
Molecular FormulaC24H17FN4O2
Molecular Weight412.42 g/mol
Exact Mass412.13
IUPAC NameN-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1cccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)c1
InChIInChI=1S/C24H17FN4O2/c25-18-8-4-5-16(13-18)14-30-20-11-9-19(10-12-20)28-23-21-22(17-6-2-1-3-7-17)29-31-24(21)27-15-26-23/h1-13,15H,14H2,(H,26,27,28)
InChIKeyPMWGHYURIDXSAI-UHFFFAOYSA-N
XLogP5.75
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.42
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 163322894) is N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1cccc(COc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)c1.
What is the InChIKey of N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is PMWGHYURIDXSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17FN4O2/c25-18-8-4-5-16(13-18)14-30-20-11-9-19(10-12-20)28-23-21-22(17-6-2-1-3-7-17)29-31-24(21)27-15-26-23/h1-13,15H,14H2,(H,26,27,28).
What are the key properties of N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 412.42 g/mol, XLogP of 5.75, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(3-fluorophenyl)methoxy]phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163322894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).