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

C20H17FN4O — CID 20922589

IUPAC3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(CCNc2ncnc3onc(-c4ccc(F)cc4)c23)c1
InChIInChI=1S/C20H17FN4O/c1-13-3-2-4-14(11-13)9-10-22-19-17-18(15-5-7-16(21)8-6-15)25-26-20(17)24-12-23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23,24)
InChIKeyQCTOOGKMPJFMFR-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.39
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922589) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922589
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCc1cccc(CCNc2ncnc3onc(-c4ccc(F)cc4)c23)c1
InChIInChI=1S/C20H17FN4O/c1-13-3-2-4-14(11-13)9-10-22-19-17-18(15-5-7-16(21)8-6-15)25-26-20(17)24-12-23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23,24)
InChIKeyQCTOOGKMPJFMFR-UHFFFAOYSA-N
XLogP4.39
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922589) is 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is Cc1cccc(CCNc2ncnc3onc(-c4ccc(F)cc4)c23)c1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is QCTOOGKMPJFMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-3-2-4-14(11-13)9-10-22-19-17-18(15-5-7-16(21)8-6-15)25-26-20(17)24-12-23-19/h2-8,11-12H,9-10H2,1H3,(H,22,23,24).
What are the key properties of 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 348.38 g/mol, XLogP of 4.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[2-(3-methylphenyl)ethyl]-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).