N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

C22H30N2O3 — CID 42348608

IUPACN-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1OCc1cc(C(=O)N(C)CCCC2CCCC2)no1
InChIInChI=1S/C22H30N2O3/c1-16-8-6-9-17(2)21(16)26-15-19-14-20(23-27-19)22(25)24(3)13-7-12-18-10-4-5-11-18/h6,8-9,14,18H,4-5,7,10-13,15H2,1-3H3
InChIKeyPSIYBMUVFMNQKB-UHFFFAOYSA-N
MW370.49 g/mol
LogP4.91
Rot. Bonds8

About N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 42348608) has the molecular formula C22H30N2O3 and a molecular weight of 370.49 g/mol. Its IUPAC name is N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID42348608
Molecular FormulaC22H30N2O3
Molecular Weight370.49 g/mol
Exact Mass370.23
IUPAC NameN-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cccc(C)c1OCc1cc(C(=O)N(C)CCCC2CCCC2)no1
InChIInChI=1S/C22H30N2O3/c1-16-8-6-9-17(2)21(16)26-15-19-14-20(23-27-19)22(25)24(3)13-7-12-18-10-4-5-11-18/h6,8-9,14,18H,4-5,7,10-13,15H2,1-3H3
InChIKeyPSIYBMUVFMNQKB-UHFFFAOYSA-N
XLogP4.91
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-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 N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide (CID 42348608) is N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide is Cc1cccc(C)c1OCc1cc(C(=O)N(C)CCCC2CCCC2)no1.
What is the InChIKey of N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is PSIYBMUVFMNQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N2O3/c1-16-8-6-9-17(2)21(16)26-15-19-14-20(23-27-19)22(25)24(3)13-7-12-18-10-4-5-11-18/h6,8-9,14,18H,4-5,7,10-13,15H2,1-3H3.
What are the key properties of N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide?
N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 370.49 g/mol, XLogP of 4.91, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclopentylpropyl)-5-[(2,6-dimethylphenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 42348608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).