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

C24H24N4O3 — CID 53086561

IUPACethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(NCC(C)c2ccccc2)c2c(-c3ccc(C)cc3)noc2n1
InChIInChI=1S/C24H24N4O3/c1-4-30-24(29)22-26-21(25-14-16(3)17-8-6-5-7-9-17)19-20(28-31-23(19)27-22)18-12-10-15(2)11-13-18/h5-13,16H,4,14H2,1-3H3,(H,25,26,27)
InChIKeyWPGARILGOCVXMF-UHFFFAOYSA-N
MW416.48 g/mol
LogP4.99
Rot. Bonds7

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

ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (PubChem CID 53086561) has the molecular formula C24H24N4O3 and a molecular weight of 416.48 g/mol. Its IUPAC name is ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.

Molecular Properties

Compound Nameethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
PubChem CID53086561
Molecular FormulaC24H24N4O3
Molecular Weight416.48 g/mol
Exact Mass416.18
IUPAC Nameethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
SMILESCCOC(=O)c1nc(NCC(C)c2ccccc2)c2c(-c3ccc(C)cc3)noc2n1
InChIInChI=1S/C24H24N4O3/c1-4-30-24(29)22-26-21(25-14-16(3)17-8-6-5-7-9-17)19-20(28-31-23(19)27-22)18-12-10-15(2)11-13-18/h5-13,16H,4,14H2,1-3H3,(H,25,26,27)
InChIKeyWPGARILGOCVXMF-UHFFFAOYSA-N
XLogP4.99
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.48
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The IUPAC name of ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate (CID 53086561) is ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate.
What is the SMILES notation for ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The canonical SMILES for ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is CCOC(=O)c1nc(NCC(C)c2ccccc2)c2c(-c3ccc(C)cc3)noc2n1.
What is the InChIKey of ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
The InChIKey is WPGARILGOCVXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3/c1-4-30-24(29)22-26-21(25-14-16(3)17-8-6-5-7-9-17)19-20(28-31-23(19)27-22)18-12-10-15(2)11-13-18/h5-13,16H,4,14H2,1-3H3,(H,25,26,27).
What are the key properties of ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate?
ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate has a molecular weight of 416.48 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(4-methylphenyl)-4-(2-phenylpropylamino)-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate is sourced from PubChem (CID 53086561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).