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

C20H18N4O — CID 50744385

IUPACN-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine
SMILESCCc1ccc(CNc2ncc3nc(-c4ccccc4)oc3n2)cc1
InChIInChI=1S/C20H18N4O/c1-2-14-8-10-15(11-9-14)12-21-20-22-13-17-19(24-20)25-18(23-17)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,21,22,24)
InChIKeyWGOURBYNEDZMSI-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.46
Rot. Bonds5

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

N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine (PubChem CID 50744385) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine.

Molecular Properties

Compound NameN-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine
PubChem CID50744385
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine
SMILESCCc1ccc(CNc2ncc3nc(-c4ccccc4)oc3n2)cc1
InChIInChI=1S/C20H18N4O/c1-2-14-8-10-15(11-9-14)12-21-20-22-13-17-19(24-20)25-18(23-17)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,21,22,24)
InChIKeyWGOURBYNEDZMSI-UHFFFAOYSA-N
XLogP4.46
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.46
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]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine?
The IUPAC name of N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine (CID 50744385) is N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine.
What is the SMILES notation for N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine?
The canonical SMILES for N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine is CCc1ccc(CNc2ncc3nc(-c4ccccc4)oc3n2)cc1.
What is the InChIKey of N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine?
The InChIKey is WGOURBYNEDZMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-2-14-8-10-15(11-9-14)12-21-20-22-13-17-19(24-20)25-18(23-17)16-6-4-3-5-7-16/h3-11,13H,2,12H2,1H3,(H,21,22,24).
What are the key properties of N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine?
N-[(4-ethylphenyl)methyl]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine has a molecular weight of 330.39 g/mol, XLogP of 4.46, 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]-2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-5-amine is sourced from PubChem (CID 50744385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).