3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

C19H15ClN4O2 — CID 14143807

IUPAC3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C19H15ClN4O2/c1-2-25-15-9-7-14(8-10-15)23-18-16-17(12-3-5-13(20)6-4-12)24-26-19(16)22-11-21-18/h3-11H,2H2,1H3,(H,21,22,23)
InChIKeyIHHODEDSUFTOBQ-UHFFFAOYSA-N
MW366.81 g/mol
LogP5.08
Rot. Bonds5

About 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine

3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (PubChem CID 14143807) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
PubChem CID14143807
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c23)cc1
InChIInChI=1S/C19H15ClN4O2/c1-2-25-15-9-7-14(8-10-15)23-18-16-17(12-3-5-13(20)6-4-12)24-26-19(16)22-11-21-18/h3-11H,2H2,1H3,(H,21,22,23)
InChIKeyIHHODEDSUFTOBQ-UHFFFAOYSA-N
XLogP5.08
TPSA73.07 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.81
LogP ≤ 55.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine (CID 14143807) is 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is CCOc1ccc(Nc2ncnc3onc(-c4ccc(Cl)cc4)c23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
The InChIKey is IHHODEDSUFTOBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-2-25-15-9-7-14(8-10-15)23-18-16-17(12-3-5-13(20)6-4-12)24-26-19(16)22-11-21-18/h3-11H,2H2,1H3,(H,21,22,23).
What are the key properties of 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine?
3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine has a molecular weight of 366.81 g/mol, XLogP of 5.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-ethoxyphenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine is sourced from PubChem (CID 14143807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).