N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

C20H18N4O — CID 53053181

IUPACN-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1ccccc1Nc1ncnc2c(-c3ccc(C)cc3)noc12
InChIInChI=1S/C20H18N4O/c1-3-14-6-4-5-7-16(14)23-20-19-18(21-12-22-20)17(24-25-19)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3,(H,21,22,23)
InChIKeyYSIHTCGXULCDHY-UHFFFAOYSA-N
MW330.39 g/mol
LogP4.90
Rot. Bonds4

About N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine

N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53053181) has the molecular formula C20H18N4O and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53053181
Molecular FormulaC20H18N4O
Molecular Weight330.39 g/mol
Exact Mass330.15
IUPAC NameN-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1ccccc1Nc1ncnc2c(-c3ccc(C)cc3)noc12
InChIInChI=1S/C20H18N4O/c1-3-14-6-4-5-7-16(14)23-20-19-18(21-12-22-20)17(24-25-19)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3,(H,21,22,23)
InChIKeyYSIHTCGXULCDHY-UHFFFAOYSA-N
XLogP4.90
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053150
3-(4-methylphenyl)-N-[(2R)-2-phenylpropyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 95064102
4-N-(2-ethylphenyl)-6-N-(4-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482682
4-N-(2-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544045
N-(3-chlorophenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053136
3-phenyl-N-(2-phenylpropyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53209732
4-N-(2-ethylphenyl)-6-N-phenylpyrimidine-4,5,6-triamine
CID 22544115
4-N,6-N-bis(2-ethylphenyl)-5-nitropyrimidine-4,6-diamine
CID 23482571
5-ethyl-4-N-(2-ethylphenyl)pyrimidine-4,6-diamine
CID 80761572
ethyl 4-(2-ethylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340159
5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053276
3-phenyl-N-[3-(trifluoromethyl)phenyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053132

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53053181) is N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is CCc1ccccc1Nc1ncnc2c(-c3ccc(C)cc3)noc12.
What is the InChIKey of N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is YSIHTCGXULCDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O/c1-3-14-6-4-5-7-16(14)23-20-19-18(21-12-22-20)17(24-25-19)15-10-8-13(2)9-11-15/h4-12H,3H2,1-2H3,(H,21,22,23).
What are the key properties of N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 330.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53053181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).