N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

C21H28N4O3 — CID 135119391

IUPACN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCN(C)[C@@H]1CCC[C@H]1NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1
InChIInChI=1S/C21H28N4O3/c1-24(2)17-10-6-9-16(17)22-21(26)18-19(15-7-4-3-5-8-15)28-23-20(18)25-11-13-27-14-12-25/h3-5,7-8,16-17H,6,9-14H2,1-2H3,(H,22,26)/t16-,17-/m1/s1
InChIKeyJONLJYFHFKBLGD-IAGOWNOFSA-N
MW384.48 g/mol
LogP2.39
Rot. Bonds5

About N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide

N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 135119391) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
PubChem CID135119391
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC NameN-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide
SMILESCN(C)[C@@H]1CCC[C@H]1NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1
InChIInChI=1S/C21H28N4O3/c1-24(2)17-10-6-9-16(17)22-21(26)18-19(15-7-4-3-5-8-15)28-23-20(18)25-11-13-27-14-12-25/h3-5,7-8,16-17H,6,9-14H2,1-2H3,(H,22,26)/t16-,17-/m1/s1
InChIKeyJONLJYFHFKBLGD-IAGOWNOFSA-N
XLogP2.39
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-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-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide (CID 135119391) is N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide is CN(C)[C@@H]1CCC[C@H]1NC(=O)c1c(N2CCOCC2)noc1-c1ccccc1.
What is the InChIKey of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is JONLJYFHFKBLGD-IAGOWNOFSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-24(2)17-10-6-9-16(17)22-21(26)18-19(15-7-4-3-5-8-15)28-23-20(18)25-11-13-27-14-12-25/h3-5,7-8,16-17H,6,9-14H2,1-2H3,(H,22,26)/t16-,17-/m1/s1.
What are the key properties of N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide?
N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2R)-2-(dimethylamino)cyclopentyl]-3-morpholin-4-yl-5-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 135119391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).