2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide

C24H33N5O2 — CID 110238906

IUPAC2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
SMILESCc1cc(-c2cnc(N(C)C)nc2C2CCC(CNC(=O)CC3C=CCC3)CC2)on1
InChIInChI=1S/C24H33N5O2/c1-16-12-21(31-28-16)20-15-26-24(29(2)3)27-23(20)19-10-8-18(9-11-19)14-25-22(30)13-17-6-4-5-7-17/h4,6,12,15,17-19H,5,7-11,13-14H2,1-3H3,(H,25,30)
InChIKeyZDDLIVGBAISVFW-UHFFFAOYSA-N
MW423.56 g/mol
LogP4.25
Rot. Bonds7

About 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide

2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide (PubChem CID 110238906) has the molecular formula C24H33N5O2 and a molecular weight of 423.56 g/mol. Its IUPAC name is 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide.

Molecular Properties

Compound Name2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
PubChem CID110238906
Molecular FormulaC24H33N5O2
Molecular Weight423.56 g/mol
Exact Mass423.26
IUPAC Name2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide
SMILESCc1cc(-c2cnc(N(C)C)nc2C2CCC(CNC(=O)CC3C=CCC3)CC2)on1
InChIInChI=1S/C24H33N5O2/c1-16-12-21(31-28-16)20-15-26-24(29(2)3)27-23(20)19-10-8-18(9-11-19)14-25-22(30)13-17-6-4-5-7-17/h4,6,12,15,17-19H,5,7-11,13-14H2,1-3H3,(H,25,30)
InChIKeyZDDLIVGBAISVFW-UHFFFAOYSA-N
XLogP4.25
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide?
The IUPAC name of 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide (CID 110238906) is 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide.
What is the SMILES notation for 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide?
The canonical SMILES for 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide is Cc1cc(-c2cnc(N(C)C)nc2C2CCC(CNC(=O)CC3C=CCC3)CC2)on1.
What is the InChIKey of 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide?
The InChIKey is ZDDLIVGBAISVFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O2/c1-16-12-21(31-28-16)20-15-26-24(29(2)3)27-23(20)19-10-8-18(9-11-19)14-25-22(30)13-17-6-4-5-7-17/h4,6,12,15,17-19H,5,7-11,13-14H2,1-3H3,(H,25,30).
What are the key properties of 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide?
2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide has a molecular weight of 423.56 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopent-2-en-1-yl-N-[[4-[2-(dimethylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]cyclohexyl]methyl]acetamide is sourced from PubChem (CID 110238906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).