3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide

C23H28N6O3 — CID 127249251

IUPAC3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2cn3cccnc3n2)C1
InChIInChI=1S/C23H28N6O3/c1-24-21(31)23(13-17-12-18(27-32-17)16-6-3-2-4-7-16)8-11-29(15-23)20(30)19-14-28-10-5-9-25-22(28)26-19/h5,9-10,12,14,16H,2-4,6-8,11,13,15H2,1H3,(H,24,31)
InChIKeyLFHWBBIGLLWNSK-UHFFFAOYSA-N
MW436.52 g/mol
LogP2.59
Rot. Bonds5

About 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide

3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide (PubChem CID 127249251) has the molecular formula C23H28N6O3 and a molecular weight of 436.52 g/mol. Its IUPAC name is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide
PubChem CID127249251
Molecular FormulaC23H28N6O3
Molecular Weight436.52 g/mol
Exact Mass436.22
IUPAC Name3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2cn3cccnc3n2)C1
InChIInChI=1S/C23H28N6O3/c1-24-21(31)23(13-17-12-18(27-32-17)16-6-3-2-4-7-16)8-11-29(15-23)20(30)19-14-28-10-5-9-25-22(28)26-19/h5,9-10,12,14,16H,2-4,6-8,11,13,15H2,1H3,(H,24,31)
InChIKeyLFHWBBIGLLWNSK-UHFFFAOYSA-N
XLogP2.59
TPSA105.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-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 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The IUPAC name of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide (CID 127249251) is 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide is CNC(=O)C1(Cc2cc(C3CCCCC3)no2)CCN(C(=O)c2cn3cccnc3n2)C1.
What is the InChIKey of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide?
The InChIKey is LFHWBBIGLLWNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N6O3/c1-24-21(31)23(13-17-12-18(27-32-17)16-6-3-2-4-7-16)8-11-29(15-23)20(30)19-14-28-10-5-9-25-22(28)26-19/h5,9-10,12,14,16H,2-4,6-8,11,13,15H2,1H3,(H,24,31).
What are the key properties of 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide?
3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclohexyl-1,2-oxazol-5-yl)methyl]-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)-N-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 127249251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).