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

C18H11F3N4O — CID 46359472

IUPAC3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2ncnc3onc(-c4cc(F)cc(F)c4)c23)cc1
InChIInChI=1S/C18H11F3N4O/c19-12-3-1-10(2-4-12)8-22-17-15-16(25-26-18(15)24-9-23-17)11-5-13(20)7-14(21)6-11/h1-7,9H,8H2,(H,22,23,24)
InChIKeyDAAICSTWJQJXSE-UHFFFAOYSA-N
MW356.31 g/mol
LogP4.31
Rot. Bonds4

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

3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 46359472) has the molecular formula C18H11F3N4O and a molecular weight of 356.31 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID46359472
Molecular FormulaC18H11F3N4O
Molecular Weight356.31 g/mol
Exact Mass356.09
IUPAC Name3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(CNc2ncnc3onc(-c4cc(F)cc(F)c4)c23)cc1
InChIInChI=1S/C18H11F3N4O/c19-12-3-1-10(2-4-12)8-22-17-15-16(25-26-18(15)24-9-23-17)11-5-13(20)7-14(21)6-11/h1-7,9H,8H2,(H,22,23,24)
InChIKeyDAAICSTWJQJXSE-UHFFFAOYSA-N
XLogP4.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.31
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 46359472) is 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(CNc2ncnc3onc(-c4cc(F)cc(F)c4)c23)cc1.
What is the InChIKey of 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is DAAICSTWJQJXSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N4O/c19-12-3-1-10(2-4-12)8-22-17-15-16(25-26-18(15)24-9-23-17)11-5-13(20)7-14(21)6-11/h1-7,9H,8H2,(H,22,23,24).
What are the key properties of 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 356.31 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)-N-[(4-fluorophenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 46359472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).