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

C20H17FN4O — CID 20922581

IUPACN-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1ccc(CNc2ncnc3onc(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C20H17FN4O/c1-2-13-3-5-14(6-4-13)11-22-19-17-18(15-7-9-16(21)10-8-15)25-26-20(17)24-12-23-19/h3-10,12H,2,11H2,1H3,(H,22,23,24)
InChIKeyNTSNVOJHNANWNG-UHFFFAOYSA-N
MW348.38 g/mol
LogP4.60
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 20922581) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID20922581
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC NameN-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCc1ccc(CNc2ncnc3onc(-c4ccc(F)cc4)c23)cc1
InChIInChI=1S/C20H17FN4O/c1-2-13-3-5-14(6-4-13)11-22-19-17-18(15-7-9-16(21)10-8-15)25-26-20(17)24-12-23-19/h3-10,12H,2,11H2,1H3,(H,22,23,24)
InChIKeyNTSNVOJHNANWNG-UHFFFAOYSA-N
XLogP4.60
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 ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 20922581) is N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCc1ccc(CNc2ncnc3onc(-c4ccc(F)cc4)c23)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is NTSNVOJHNANWNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-2-13-3-5-14(6-4-13)11-22-19-17-18(15-7-9-16(21)10-8-15)25-26-20(17)24-12-23-19/h3-10,12H,2,11H2,1H3,(H,22,23,24).
What are the key properties of N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 348.38 g/mol, XLogP of 4.60, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylphenyl)methyl]-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 20922581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).