ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

C19H19FN4O3 — CID 53008069

IUPACethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(NC2CCCC2)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C19H19FN4O3/c1-2-26-19(25)17-22-16(21-13-5-3-4-6-13)14-15(24-27-18(14)23-17)11-7-9-12(20)10-8-11/h7-10,13H,2-6H2,1H3,(H,21,22,23)
InChIKeyNQMRHNSYSDCUKY-UHFFFAOYSA-N
MW370.38 g/mol
LogP3.96
Rot. Bonds5

About ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate

ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 53008069) has the molecular formula C19H19FN4O3 and a molecular weight of 370.38 g/mol. Its IUPAC name is ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID53008069
Molecular FormulaC19H19FN4O3
Molecular Weight370.38 g/mol
Exact Mass370.14
IUPAC Nameethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(NC2CCCC2)c2c(-c3ccc(F)cc3)noc2n1
InChIInChI=1S/C19H19FN4O3/c1-2-26-19(25)17-22-16(21-13-5-3-4-6-13)14-15(24-27-18(14)23-17)11-7-9-12(20)10-8-11/h7-10,13H,2-6H2,1H3,(H,21,22,23)
InChIKeyNQMRHNSYSDCUKY-UHFFFAOYSA-N
XLogP3.96
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.38
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (CID 53008069) is ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(NC2CCCC2)c2c(-c3ccc(F)cc3)noc2n1.
What is the InChIKey of ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is NQMRHNSYSDCUKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3/c1-2-26-19(25)17-22-16(21-13-5-3-4-6-13)14-15(24-27-18(14)23-17)11-7-9-12(20)10-8-11/h7-10,13H,2-6H2,1H3,(H,21,22,23).
What are the key properties of ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 370.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(cyclopentylamino)-3-(4-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 53008069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).