1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one

C21H25N5O2 — CID 53053239

IUPAC1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
SMILESCCc1nc(NCCCN2CCCC2=O)c2onc(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C21H25N5O2/c1-3-16-23-19-18(15-9-7-14(2)8-10-15)25-28-20(19)21(24-16)22-11-5-13-26-12-4-6-17(26)27/h7-10H,3-6,11-13H2,1-2H3,(H,22,23,24)
InChIKeyAWDSSGTWPUBLMN-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.58
Rot. Bonds7

About 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 53053239) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
PubChem CID53053239
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one
SMILESCCc1nc(NCCCN2CCCC2=O)c2onc(-c3ccc(C)cc3)c2n1
InChIInChI=1S/C21H25N5O2/c1-3-16-23-19-18(15-9-7-14(2)8-10-15)25-28-20(19)21(24-16)22-11-5-13-26-12-4-6-17(26)27/h7-10H,3-6,11-13H2,1-2H3,(H,22,23,24)
InChIKeyAWDSSGTWPUBLMN-UHFFFAOYSA-N
XLogP3.58
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)amino]propyl]pyrrolidin-2-one
CID 56760644
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[3-(2-oxoazepan-1-yl)propyl]benzamide
CID 134046699
1-[3-[[7-(4-methylphenyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 4580981
1-[3-(3-methyl-4-nitroanilino)propyl]pyrrolidin-2-one
CID 58598917
ethyl 3-methyl-4-[3-(2-oxopyrrolidin-1-yl)propylamino]-[1,2]oxazolo[5,4-d]pyrimidine-6-carboxylate
CID 46349810
1-[3-[[5-(azepan-1-yl)-[1,2,5]oxadiazolo[3,4-b]pyrazin-6-yl]amino]propyl]pyrrolidin-2-one
CID 42384159
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
1-ethyl-3-[3-(2-oxopyrrolidin-1-yl)propyl]-2-(thiophen-2-ylmethyl)guanidine
CID 111146787
1-[3-[[2-chloro-5-(dimethylamino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 21081039
1-[3-([1,3]oxazolo[4,5-b]pyridin-2-ylamino)propyl]pyrrolidin-2-one
CID 110244926
1-[3-[[3-[3-(2-oxoazepan-1-yl)propylamino]pyrazin-2-yl]amino]propyl]azepan-2-one
CID 166204581
5-methyl-3-(4-methylphenyl)-N-[(4-methylphenyl)methyl]-[1,2]oxazolo[4,5-d]pyrimidin-7-amine
CID 53004098

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one (CID 53053239) is 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one is CCc1nc(NCCCN2CCCC2=O)c2onc(-c3ccc(C)cc3)c2n1.
What is the InChIKey of 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is AWDSSGTWPUBLMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-16-23-19-18(15-9-7-14(2)8-10-15)25-28-20(19)21(24-16)22-11-5-13-26-12-4-6-17(26)27/h7-10H,3-6,11-13H2,1-2H3,(H,22,23,24).
What are the key properties of 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 379.46 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[5-ethyl-3-(4-methylphenyl)-[1,2]oxazolo[4,5-d]pyrimidin-7-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 53053239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).