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

C23H15FN4O2 — CID 163322930

IUPACN-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Oc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C23H15FN4O2/c24-16-6-10-18(11-7-16)29-19-12-8-17(9-13-19)27-22-20-21(15-4-2-1-3-5-15)28-30-23(20)26-14-25-22/h1-14H,(H,25,26,27)
InChIKeyLCTJVEXUKPADCL-UHFFFAOYSA-N
MW398.40 g/mol
LogP5.96
Rot. Bonds5

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

N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 163322930) has the molecular formula C23H15FN4O2 and a molecular weight of 398.40 g/mol. Its IUPAC name is N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID163322930
Molecular FormulaC23H15FN4O2
Molecular Weight398.40 g/mol
Exact Mass398.12
IUPAC NameN-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(Oc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1
InChIInChI=1S/C23H15FN4O2/c24-16-6-10-18(11-7-16)29-19-12-8-17(9-13-19)27-22-20-21(15-4-2-1-3-5-15)28-30-23(20)26-14-25-22/h1-14H,(H,25,26,27)
InChIKeyLCTJVEXUKPADCL-UHFFFAOYSA-N
XLogP5.96
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.40
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(3,5-dimethylphenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 163322745
3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359390
N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922617
N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 155809347
3-phenyl-N-(4-piperidin-1-ylphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 163322934
N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922625
3-(4-fluorophenyl)-N-[(2S)-4-phenylbutan-2-yl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 92692169
N-(4-fluorophenyl)-5-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10614457
4-(4-fluorophenoxy)-5-methyl-3-phenyl-1,2-oxazole
CID 70158646
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922581
N-(4-phenoxyphenyl)-2-phenylquinazolin-4-amine
CID 11567274
3-(3,5-difluorophenyl)-N-(2-phenylethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359527

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 163322930) is N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(Oc2ccc(Nc3ncnc4onc(-c5ccccc5)c34)cc2)cc1.
What is the InChIKey of N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is LCTJVEXUKPADCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FN4O2/c24-16-6-10-18(11-7-16)29-19-12-8-17(9-13-19)27-22-20-21(15-4-2-1-3-5-15)28-30-23(20)26-14-25-22/h1-14H,(H,25,26,27).
What are the key properties of N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 398.40 g/mol, XLogP of 5.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 163322930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).