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

C18H11FN4O3 — CID 20922625

IUPACN-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(Nc4ccc5c(c4)OCO5)c23)cc1
InChIInChI=1S/C18H11FN4O3/c19-11-3-1-10(2-4-11)16-15-17(20-8-21-18(15)26-23-16)22-12-5-6-13-14(7-12)25-9-24-13/h1-8H,9H2,(H,20,21,22)
InChIKeyMZVSIQOYAUTYNQ-UHFFFAOYSA-N
MW350.31 g/mol
LogP3.90
Rot. Bonds3

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

N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922625) has the molecular formula C18H11FN4O3 and a molecular weight of 350.31 g/mol. Its IUPAC name is N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922625
Molecular FormulaC18H11FN4O3
Molecular Weight350.31 g/mol
Exact Mass350.08
IUPAC NameN-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESFc1ccc(-c2noc3ncnc(Nc4ccc5c(c4)OCO5)c23)cc1
InChIInChI=1S/C18H11FN4O3/c19-11-3-1-10(2-4-11)16-15-17(20-8-21-18(15)26-23-16)22-12-5-6-13-14(7-12)25-9-24-13/h1-8H,9H2,(H,20,21,22)
InChIKeyMZVSIQOYAUTYNQ-UHFFFAOYSA-N
XLogP3.90
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.31
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3,4-dimethylphenyl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922617
3-(4-fluorophenyl)-N-[4-(1,2-oxazol-5-yl)phenyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359390
N-[4-(4-fluorophenoxy)phenyl]-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 163322930
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359455
4-N,6-N-bis(1,3-benzodioxol-5-yl)pyrimidine-4,5,6-triamine
CID 22542016
N'-[5-amino-6-(1,3-benzodioxol-5-ylamino)pyrimidin-4-yl]-4-fluorobenzohydrazide
CID 22542161
N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)isoquinolin-1-amine
CID 58658862
4-N-(1,3-benzodioxol-5-yl)-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine-4,5-diamine
CID 22542204
N-(2-fluorophenyl)-3-phenyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 155809347
6-N-(1,3-benzodioxol-5-yl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540413
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922530
N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 20922592

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922625) is N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Fc1ccc(-c2noc3ncnc(Nc4ccc5c(c4)OCO5)c23)cc1.
What is the InChIKey of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is MZVSIQOYAUTYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11FN4O3/c19-11-3-1-10(2-4-11)16-15-17(20-8-21-18(15)26-23-16)22-12-5-6-13-14(7-12)25-9-24-13/h1-8H,9H2,(H,20,21,22).
What are the key properties of N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 350.31 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzodioxol-5-yl)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).