2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol

C15H15FN4O2 — CID 20924768

IUPAC2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H15FN4O2/c1-15(2,7-21)19-13-11-12(9-3-5-10(16)6-4-9)20-22-14(11)18-8-17-13/h3-6,8,21H,7H2,1-2H3,(H,17,18,19)
InChIKeyGAWMIWYFRBSHTD-UHFFFAOYSA-N
MW302.31 g/mol
LogP2.61
Rot. Bonds4

About 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol

2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol (PubChem CID 20924768) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol
PubChem CID20924768
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC Name2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol
SMILESCC(C)(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C15H15FN4O2/c1-15(2,7-21)19-13-11-12(9-3-5-10(16)6-4-9)20-22-14(11)18-8-17-13/h3-6,8,21H,7H2,1-2H3,(H,17,18,19)
InChIKeyGAWMIWYFRBSHTD-UHFFFAOYSA-N
XLogP2.61
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol with MolForge

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Related Compounds

2-{[3-(4-Fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino}butan-1-ol
CID 20924767
2-{Ethyl[3-(4-fluorophenyl)isoxazolo[5,4-d]pyrimidin-4-yl]amino}ethanol
CID 20924775
Methyl 2-{[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-D]pyrimidin-4-YL]amino}-3-hydroxypropanoate
CID 22334826
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 10025788
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-m-tolylurea
CID 10067064
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-ethylphenyl)urea
CID 10362034
1-(4-(4-Aminoisoxazolo[5,4-d]pyrimidin-3-yl)phenyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 10409523
3-(3-chlorophenyl)-N-cyclohexylisoxazolo[5,4-d]pyrimidin-4-amine
CID 16009357
3-(4-chlorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16009415
3-(4-chlorophenyl)-N-[2-(4-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16009422
N-[2-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16023248
3-(4-fluorophenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 16023276

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol (CID 20924768) is 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol is CC(C)(CO)Nc1ncnc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
The InChIKey is GAWMIWYFRBSHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-15(2,7-21)19-13-11-12(9-3-5-10(16)6-4-9)20-22-14(11)18-8-17-13/h3-6,8,21H,7H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol?
2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol has a molecular weight of 302.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 20924768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).