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

C19H15FN4O3 — CID 20922631

IUPACN-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3onc(-c4ccc(F)cc4)c23)cc(OC)c1
InChIInChI=1S/C19H15FN4O3/c1-25-14-7-13(8-15(9-14)26-2)23-18-16-17(11-3-5-12(20)6-4-11)24-27-19(16)22-10-21-18/h3-10H,1-2H3,(H,21,22,23)
InChIKeyVLTYKFDXAMIKPV-UHFFFAOYSA-N
MW366.35 g/mol
LogP4.18
Rot. Bonds5

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

N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922631) has the molecular formula C19H15FN4O3 and a molecular weight of 366.35 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922631
Molecular FormulaC19H15FN4O3
Molecular Weight366.35 g/mol
Exact Mass366.11
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCOc1cc(Nc2ncnc3onc(-c4ccc(F)cc4)c23)cc(OC)c1
InChIInChI=1S/C19H15FN4O3/c1-25-14-7-13(8-15(9-14)26-2)23-18-16-17(11-3-5-12(20)6-4-11)24-27-19(16)22-10-21-18/h3-10H,1-2H3,(H,21,22,23)
InChIKeyVLTYKFDXAMIKPV-UHFFFAOYSA-N
XLogP4.18
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.35
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922631) is N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is COc1cc(Nc2ncnc3onc(-c4ccc(F)cc4)c23)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is VLTYKFDXAMIKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O3/c1-25-14-7-13(8-15(9-14)26-2)23-18-16-17(11-3-5-12(20)6-4-11)24-27-19(16)22-10-21-18/h3-10H,1-2H3,(H,21,22,23).
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 366.35 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).