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

C23H30N4O4 — CID 71837603

IUPACN-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1
InChIInChI=1S/C23H30N4O4/c1-3-30-19-8-6-18(7-9-19)24-23(29)27-14-10-17(11-15-27)21-25-20(16(2)31-21)22(28)26-12-4-5-13-26/h6-9,17H,3-5,10-15H2,1-2H3,(H,24,29)
InChIKeyVWKBRJQXQXTIPT-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.03
Rot. Bonds5

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

N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837603) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837603
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1
InChIInChI=1S/C23H30N4O4/c1-3-30-19-8-6-18(7-9-19)24-23(29)27-14-10-17(11-15-27)21-25-20(16(2)31-21)22(28)26-12-4-5-13-26/h6-9,17H,3-5,10-15H2,1-2H3,(H,24,29)
InChIKeyVWKBRJQXQXTIPT-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

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837603) is N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCCC4)c(C)o3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is VWKBRJQXQXTIPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-3-30-19-8-6-18(7-9-19)24-23(29)27-14-10-17(11-15-27)21-25-20(16(2)31-21)22(28)26-12-4-5-13-26/h6-9,17H,3-5,10-15H2,1-2H3,(H,24,29).
What are the key properties of N-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(4-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-(4-ethoxyphenyl)-4-[5-methyl-4-(pyrrolidine-1-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).