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

C21H20N4O — CID 53053276

IUPAC5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCc2ccc(C)cc2)c2onc(-c3ccccc3)c2n1
InChIInChI=1S/C21H20N4O/c1-3-17-23-19-18(16-7-5-4-6-8-16)25-26-20(19)21(24-17)22-13-15-11-9-14(2)10-12-15/h4-12H,3,13H2,1-2H3,(H,22,23,24)
InChIKeyJKSVEWJNMWGJSM-UHFFFAOYSA-N
MW344.42 g/mol
LogP4.77
Rot. Bonds5

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

5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53053276) has the molecular formula C21H20N4O and a molecular weight of 344.42 g/mol. Its IUPAC name is 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53053276
Molecular FormulaC21H20N4O
Molecular Weight344.42 g/mol
Exact Mass344.16
IUPAC Name5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCc2ccc(C)cc2)c2onc(-c3ccccc3)c2n1
InChIInChI=1S/C21H20N4O/c1-3-17-23-19-18(16-7-5-4-6-8-16)25-26-20(19)21(24-17)22-13-15-11-9-14(2)10-12-15/h4-12H,3,13H2,1-2H3,(H,22,23,24)
InChIKeyJKSVEWJNMWGJSM-UHFFFAOYSA-N
XLogP4.77
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-chlorophenyl)methyl]-5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053235
5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053291
5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53004098
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053268
N-[(4-methylphenyl)methyl]-2,5-diphenyl-[1,3]oxazolo[4,5-d]pyrimidin-7-amine
CID 35572888
1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
CID 53053239
N-[(4-chlorophenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53032717
5-ethyl-N-(3-methylsulfanylphenyl)-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053280
6-N,2-diethyl-5-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 80980974
N-[(4-methylphenyl)methyl]-2-phenylquinazolin-4-amine
CID 11631224
3-(4-chlorophenyl)-N-[(4-chlorophenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53004087
4-N-benzyl-2-ethyl-5-methylpyrimidine-4,6-diamine
CID 80980993

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53053276) is 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is CCc1nc(NCc2ccc(C)cc2)c2onc(-c3ccccc3)c2n1.
What is the InChIKey of 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is JKSVEWJNMWGJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O/c1-3-17-23-19-18(16-7-5-4-6-8-16)25-26-20(19)21(24-17)22-13-15-11-9-14(2)10-12-15/h4-12H,3,13H2,1-2H3,(H,22,23,24).
What are the key properties of 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 344.42 g/mol, XLogP of 4.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53053276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).