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

C19H15FN4O2 — CID 15987611

IUPAC[3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol
SMILESCc1ccc(CO)cc1Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H15FN4O2/c1-11-2-3-12(9-25)8-15(11)23-18-16-17(13-4-6-14(20)7-5-13)24-26-19(16)22-10-21-18/h2-8,10,25H,9H2,1H3,(H,21,22,23)
InChIKeyGKNDWLAQKUPEDY-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.97
Rot. Bonds4

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

[3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol (PubChem CID 15987611) has the molecular formula C19H15FN4O2 and a molecular weight of 350.35 g/mol. Its IUPAC name is [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol.

Molecular Properties

Compound Name[3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol
PubChem CID15987611
Molecular FormulaC19H15FN4O2
Molecular Weight350.35 g/mol
Exact Mass350.12
IUPAC Name[3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol
SMILESCc1ccc(CO)cc1Nc1ncnc2onc(-c3ccc(F)cc3)c12
InChIInChI=1S/C19H15FN4O2/c1-11-2-3-12(9-25)8-15(11)23-18-16-17(13-4-6-14(20)7-5-13)24-26-19(16)22-10-21-18/h2-8,10,25H,9H2,1H3,(H,21,22,23)
InChIKeyGKNDWLAQKUPEDY-UHFFFAOYSA-N
XLogP3.97
TPSA84.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

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CID 10409523
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CID 16023276
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Frequently Asked Questions

What is the IUPAC name of [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol?
The IUPAC name of [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol (CID 15987611) is [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol.
What is the SMILES notation for [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol?
The canonical SMILES for [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol is Cc1ccc(CO)cc1Nc1ncnc2onc(-c3ccc(F)cc3)c12.
What is the InChIKey of [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol?
The InChIKey is GKNDWLAQKUPEDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN4O2/c1-11-2-3-12(9-25)8-15(11)23-18-16-17(13-4-6-14(20)7-5-13)24-26-19(16)22-10-21-18/h2-8,10,25H,9H2,1H3,(H,21,22,23).
What are the key properties of [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol?
[3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol has a molecular weight of 350.35 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]amino]-4-methylphenyl]methanol is sourced from PubChem (CID 15987611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).