N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

C26H47N3O2 — CID 4994793

IUPACN-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C26H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-25(30)24-22-31-26(29-24)23-19-18-21-27-23/h22-23,27H,2-21H2,1H3,(H,28,30)
InChIKeyLMCXAUWJCYYPKJ-UHFFFAOYSA-N
MW433.68 g/mol
LogP7.09
Rot. Bonds19

About N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide

N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 4994793) has the molecular formula C26H47N3O2 and a molecular weight of 433.68 g/mol. Its IUPAC name is N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
PubChem CID4994793
Molecular FormulaC26H47N3O2
Molecular Weight433.68 g/mol
Exact Mass433.37
IUPAC NameN-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
SMILESCCCCCCCCCCCCCCCCCCNC(=O)c1coc(C2CCCN2)n1
InChIInChI=1S/C26H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-25(30)24-22-31-26(29-24)23-19-18-21-27-23/h22-23,27H,2-21H2,1H3,(H,28,30)
InChIKeyLMCXAUWJCYYPKJ-UHFFFAOYSA-N
XLogP7.09
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.68
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-octadecyl-2-pyrrolidin-2-yl-1,3-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

Related Compounds

N-heptyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3433625
N-(3-methoxypropyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3665787
N-(3-methylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3439628
N-(4-phenylbutyl)-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3771092
N-heptyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440445
N-dodecyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
CID 3440443
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide
CID 3674031
N-(3-butoxypropyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970779
N-propyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole-3-carboxamide
CID 104970775
ethyl 5-(diaminomethylideneamino)-2-[(2-pyrrolidin-2-yl-1,3-oxazole-4-carbonyl)amino]pentanoate
CID 4987379
N-[(6-chloroimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(2S)-pyrrolidin-2-yl]-1,3-oxazole-4-carboxamide
CID 167929898
2-(methylaminomethyl)-N-nonyl-1,3-oxazole-4-carboxamide
CID 3868845

Frequently Asked Questions

What is the IUPAC name of N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide (CID 4994793) is N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is CCCCCCCCCCCCCCCCCCNC(=O)c1coc(C2CCCN2)n1.
What is the InChIKey of N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is LMCXAUWJCYYPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-28-25(30)24-22-31-26(29-24)23-19-18-21-27-23/h22-23,27H,2-21H2,1H3,(H,28,30).
What are the key properties of N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide?
N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 433.68 g/mol, XLogP of 7.09, 19 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-octadecyl-2-pyrrolidin-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 4994793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).