5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

C26H28N4O5 — CID 142162383

IUPAC5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)c1nc(C2CCNCC2)oc1-c1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H28N4O5/c1-3-30(20-8-9-21-22(14-20)34-15-33-21)26(32)23-24(17-4-6-19(7-5-17)28-16(2)31)35-25(29-23)18-10-12-27-13-11-18/h4-9,14,18,27H,3,10-13,15H2,1-2H3,(H,28,31)
InChIKeyJBMRVYHJBUDEKI-UHFFFAOYSA-N
MW476.53 g/mol
LogP4.16
Rot. Bonds6

About 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide

5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (PubChem CID 142162383) has the molecular formula C26H28N4O5 and a molecular weight of 476.53 g/mol. Its IUPAC name is 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
PubChem CID142162383
Molecular FormulaC26H28N4O5
Molecular Weight476.53 g/mol
Exact Mass476.21
IUPAC Name5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)c1nc(C2CCNCC2)oc1-c1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCO2
InChIInChI=1S/C26H28N4O5/c1-3-30(20-8-9-21-22(14-20)34-15-33-21)26(32)23-24(17-4-6-19(7-5-17)28-16(2)31)35-25(29-23)18-10-12-27-13-11-18/h4-9,14,18,27H,3,10-13,15H2,1-2H3,(H,28,31)
InChIKeyJBMRVYHJBUDEKI-UHFFFAOYSA-N
XLogP4.16
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide (CID 142162383) is 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is CCN(C(=O)c1nc(C2CCNCC2)oc1-c1ccc(NC(C)=O)cc1)c1ccc2c(c1)OCO2.
What is the InChIKey of 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
The InChIKey is JBMRVYHJBUDEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O5/c1-3-30(20-8-9-21-22(14-20)34-15-33-21)26(32)23-24(17-4-6-19(7-5-17)28-16(2)31)35-25(29-23)18-10-12-27-13-11-18/h4-9,14,18,27H,3,10-13,15H2,1-2H3,(H,28,31).
What are the key properties of 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide?
5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide has a molecular weight of 476.53 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetamidophenyl)-N-(1,3-benzodioxol-5-yl)-N-ethyl-2-piperidin-4-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 142162383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).