N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

C23H30N4O4 — CID 71837591

IUPACN-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C23H30N4O4/c1-3-30-19-9-5-4-8-18(19)24-23(29)27-14-10-17(11-15-27)21-25-20(16(2)31-21)22(28)26-12-6-7-13-26/h4-5,8-9,17H,3,6-7,10-15H2,1-2H3,(H,24,29)
InChIKeyGQLRVCGTXHYIAX-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.03
Rot. Bonds5

About N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide

N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837591) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837591
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1
InChIInChI=1S/C23H30N4O4/c1-3-30-19-9-5-4-8-18(19)24-23(29)27-14-10-17(11-15-27)21-25-20(16(2)31-21)22(28)26-12-6-7-13-26/h4-5,8-9,17H,3,6-7,10-15H2,1-2H3,(H,24,29)
InChIKeyGQLRVCGTXHYIAX-UHFFFAOYSA-N
XLogP4.03
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-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-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837591) is N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCC(c2nc(C(=O)N3CCCC3)c(C)o2)CC1.
What is the InChIKey of N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is GQLRVCGTXHYIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-3-30-19-9-5-4-8-18(19)24-23(29)27-14-10-17(11-15-27)21-25-20(16(2)31-21)22(28)26-12-6-7-13-26/h4-5,8-9,17H,3,6-7,10-15H2,1-2H3,(H,24,29).
What are the key properties of N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).