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

C23H30N4O5 — CID 71837570

IUPACN-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1
InChIInChI=1S/C23H30N4O5/c1-3-31-19-6-4-18(5-7-19)24-23(29)27-10-8-17(9-11-27)21-25-20(16(2)32-21)22(28)26-12-14-30-15-13-26/h4-7,17H,3,8-15H2,1-2H3,(H,24,29)
InChIKeyDORYLGMCMIWEEX-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.27
Rot. Bonds5

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

N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (PubChem CID 71837570) has the molecular formula C23H30N4O5 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
PubChem CID71837570
Molecular FormulaC23H30N4O5
Molecular Weight442.52 g/mol
Exact Mass442.22
IUPAC NameN-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide
SMILESCCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1
InChIInChI=1S/C23H30N4O5/c1-3-31-19-6-4-18(5-7-19)24-23(29)27-10-8-17(9-11-27)21-25-20(16(2)32-21)22(28)26-12-14-30-15-13-26/h4-7,17H,3,8-15H2,1-2H3,(H,24,29)
InChIKeyDORYLGMCMIWEEX-UHFFFAOYSA-N
XLogP3.27
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The IUPAC name of N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide (CID 71837570) is N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is CCOc1ccc(NC(=O)N2CCC(c3nc(C(=O)N4CCOCC4)c(C)o3)CC2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
The InChIKey is DORYLGMCMIWEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O5/c1-3-31-19-6-4-18(5-7-19)24-23(29)27-10-8-17(9-11-27)21-25-20(16(2)32-21)22(28)26-12-14-30-15-13-26/h4-7,17H,3,8-15H2,1-2H3,(H,24,29).
What are the key properties of N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide?
N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-4-[5-methyl-4-(morpholine-4-carbonyl)-1,3-oxazol-2-yl]piperidine-1-carboxamide is sourced from PubChem (CID 71837570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).