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

C16H18N4O2 — CID 126780283

IUPAC2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)c2ncnc3onc(C)c23)cc1
InChIInChI=1S/C16H18N4O2/c1-11-3-5-13(6-4-11)9-20(7-8-21)15-14-12(2)19-22-16(14)18-10-17-15/h3-6,10,21H,7-9H2,1-2H3
InChIKeyPSUOFKZGQMUPAV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.23
Rot. Bonds5

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

2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol (PubChem CID 126780283) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol
PubChem CID126780283
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol
SMILESCc1ccc(CN(CCO)c2ncnc3onc(C)c23)cc1
InChIInChI=1S/C16H18N4O2/c1-11-3-5-13(6-4-11)9-20(7-8-21)15-14-12(2)19-22-16(14)18-10-17-15/h3-6,10,21H,7-9H2,1-2H3
InChIKeyPSUOFKZGQMUPAV-UHFFFAOYSA-N
XLogP2.23
TPSA75.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol?
The IUPAC name of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol (CID 126780283) is 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol.
What is the SMILES notation for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol?
The canonical SMILES for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol is Cc1ccc(CN(CCO)c2ncnc3onc(C)c23)cc1.
What is the InChIKey of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol?
The InChIKey is PSUOFKZGQMUPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-3-5-13(6-4-11)9-20(7-8-21)15-14-12(2)19-22-16(14)18-10-17-15/h3-6,10,21H,7-9H2,1-2H3.
What are the key properties of 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol?
2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol has a molecular weight of 298.35 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-[(4-methylphenyl)methyl]amino]ethanol is sourced from PubChem (CID 126780283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).