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

C23H24N4O2 — CID 53053291

IUPAC5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCc2ccc(OC(C)C)cc2)c2onc(-c3ccccc3)c2n1
InChIInChI=1S/C23H24N4O2/c1-4-19-25-21-20(17-8-6-5-7-9-17)27-29-22(21)23(26-19)24-14-16-10-12-18(13-11-16)28-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,24,25,26)
InChIKeyWGRFNQWCLSRXDN-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.25
Rot. Bonds7

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

5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (PubChem CID 53053291) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.

Molecular Properties

Compound Name5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
PubChem CID53053291
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
SMILESCCc1nc(NCc2ccc(OC(C)C)cc2)c2onc(-c3ccccc3)c2n1
InChIInChI=1S/C23H24N4O2/c1-4-19-25-21-20(17-8-6-5-7-9-17)27-29-22(21)23(26-19)24-14-16-10-12-18(13-11-16)28-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,24,25,26)
InChIKeyWGRFNQWCLSRXDN-UHFFFAOYSA-N
XLogP5.25
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-ethyl-N-[(4-methylphenyl)methyl]-3-phenyl-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053276
N-[(4-chlorophenyl)methyl]-5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053235
5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53004098
5-methyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 134054985
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
2-ethyl-N,5-dimethyl-6-(4-propan-2-yloxyphenyl)pyrimidin-4-amine
CID 80978807
N-benzyl-4-propan-2-yloxyaniline
CID 28969524
N-[[4-(dimethylamino)phenyl]methyl]-5-methyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53053268
N-[(4-methoxyphenyl)methyl]-3-phenyl-1,2,4-oxadiazol-5-amine
CID 46342000
5-methyl-3-phenyl-N-[2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-4-carboxamide
CID 33157326
ethyl 3-methyl-4-[(4-propan-2-yloxyphenyl)methylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 53086530

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The IUPAC name of 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine (CID 53053291) is 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine.
What is the SMILES notation for 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The canonical SMILES for 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is CCc1nc(NCc2ccc(OC(C)C)cc2)c2onc(-c3ccccc3)c2n1.
What is the InChIKey of 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
The InChIKey is WGRFNQWCLSRXDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-19-25-21-20(17-8-6-5-7-9-17)27-29-22(21)23(26-19)24-14-16-10-12-18(13-11-16)28-15(2)3/h5-13,15H,4,14H2,1-3H3,(H,24,25,26).
What are the key properties of 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine?
5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine has a molecular weight of 388.47 g/mol, XLogP of 5.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-phenyl-N-[(4-propan-2-yloxyphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine is sourced from PubChem (CID 53053291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).