1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one

C20H23N5O3 — CID 95801062

IUPAC1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cc(-c2cnc(NCCCN3CCCC3=O)nc2-c2ccc(C)o2)on1
InChIInChI=1S/C20H23N5O3/c1-13-11-17(28-24-13)15-12-22-20(23-19(15)16-7-6-14(2)27-16)21-8-4-10-25-9-3-5-18(25)26/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,21,22,23)
InChIKeyVXDUKOSMVFXCMY-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.43
Rot. Bonds7

About 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one

1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one (PubChem CID 95801062) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
PubChem CID95801062
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Name1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
SMILESCc1cc(-c2cnc(NCCCN3CCCC3=O)nc2-c2ccc(C)o2)on1
InChIInChI=1S/C20H23N5O3/c1-13-11-17(28-24-13)15-12-22-20(23-19(15)16-7-6-14(2)27-16)21-8-4-10-25-9-3-5-18(25)26/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,21,22,23)
InChIKeyVXDUKOSMVFXCMY-UHFFFAOYSA-N
XLogP3.43
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

1-[3-[[6-methyl-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117080518
4-methyl-2-(5-methylfuran-2-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-5-carboxamide
CID 38409110
1-[3-[[2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117083786
4-(3,5-dimethyl-1,2-oxazol-4-yl)-5-(3-methyl-1,2-oxazol-5-yl)-N-(3-morpholin-4-ylpropyl)pyrimidin-2-amine
CID 95803559
4-[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]piperazin-2-one
CID 95801064
1-[3-[[6-(2-fluorophenyl)-5,6-dihydrobenzo[h]quinazolin-2-yl]amino]propyl]pyrrolidin-2-one
CID 59490303
5-[2-[4-(2-methoxyethyl)piperazin-1-yl]-4-(5-methylfuran-2-yl)pyrimidin-5-yl]-3-methyl-1,2-oxazole
CID 95801058
1-[3-[(5-nitropyrimidin-2-yl)amino]propyl]pyrrolidin-2-one
CID 133466869
1-[3-[[4-(benzylamino)-6-methylpyrimidin-2-yl]amino]propyl]pyrrolidin-2-one
CID 117084974
N-(3-methoxypropyl)-5-(3-methyl-1,2-oxazol-5-yl)-4-(6-morpholin-4-yl-3-pyridinyl)pyrimidin-2-amine
CID 92554712
1-[3-[[2-(propylamino)pyrimidin-5-yl]methylamino]propyl]pyrrolidin-2-one
CID 102536413
ethane;2-fluoro-5-[4-methyl-2-[2-(2-oxopyrrolidin-1-yl)ethylamino]pyrimidin-5-yl]benzaldehyde;methanamine
CID 144667987

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one (CID 95801062) is 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one is Cc1cc(-c2cnc(NCCCN3CCCC3=O)nc2-c2ccc(C)o2)on1.
What is the InChIKey of 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
The InChIKey is VXDUKOSMVFXCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-13-11-17(28-24-13)15-12-22-20(23-19(15)16-7-6-14(2)27-16)21-8-4-10-25-9-3-5-18(25)26/h6-7,11-12H,3-5,8-10H2,1-2H3,(H,21,22,23).
What are the key properties of 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one?
1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one has a molecular weight of 381.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[4-(5-methylfuran-2-yl)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-2-yl]amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 95801062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).