N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide

C25H34N4O2 — CID 110238892

IUPACN-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2cnc(C(C)C)nc2C2CCC(CNC(=O)C3CC=CCC3)CC2)on1
InChIInChI=1S/C25H34N4O2/c1-16(2)24-26-15-21(22-13-17(3)29-31-22)23(28-24)19-11-9-18(10-12-19)14-27-25(30)20-7-5-4-6-8-20/h4-5,13,15-16,18-20H,6-12,14H2,1-3H3,(H,27,30)
InChIKeyFWSKQZUFRDNFFX-UHFFFAOYSA-N
MW422.57 g/mol
LogP5.31
Rot. Bonds6

About N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide

N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide (PubChem CID 110238892) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide.

Molecular Properties

Compound NameN-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
PubChem CID110238892
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC NameN-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide
SMILESCc1cc(-c2cnc(C(C)C)nc2C2CCC(CNC(=O)C3CC=CCC3)CC2)on1
InChIInChI=1S/C25H34N4O2/c1-16(2)24-26-15-21(22-13-17(3)29-31-22)23(28-24)19-11-9-18(10-12-19)14-27-25(30)20-7-5-4-6-8-20/h4-5,13,15-16,18-20H,6-12,14H2,1-3H3,(H,27,30)
InChIKeyFWSKQZUFRDNFFX-UHFFFAOYSA-N
XLogP5.31
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.57
LogP ≤ 55.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?
The IUPAC name of N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide (CID 110238892) is N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide.
What is the SMILES notation for N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?
The canonical SMILES for N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide is Cc1cc(-c2cnc(C(C)C)nc2C2CCC(CNC(=O)C3CC=CCC3)CC2)on1.
What is the InChIKey of N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?
The InChIKey is FWSKQZUFRDNFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-16(2)24-26-15-21(22-13-17(3)29-31-22)23(28-24)19-11-9-18(10-12-19)14-27-25(30)20-7-5-4-6-8-20/h4-5,13,15-16,18-20H,6-12,14H2,1-3H3,(H,27,30).
What are the key properties of N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide?
N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-propan-2-ylpyrimidin-4-yl]cyclohexyl]methyl]cyclohex-3-ene-1-carboxamide is sourced from PubChem (CID 110238892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).