1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

C24H24N4O3S — CID 2547835

IUPAC1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2C)cc1
InChIInChI=1S/C24H24N4O3S/c1-15-21(16-7-9-18(30-2)10-8-16)26-23(32-15)27-22(29)17-11-13-28(14-12-17)24-25-19-5-3-4-6-20(19)31-24/h3-10,17H,11-14H2,1-2H3,(H,26,27,29)
InChIKeyZAALKEVYFJJSSL-UHFFFAOYSA-N
MW448.55 g/mol
LogP5.12
Rot. Bonds5

About 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide

1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (PubChem CID 2547835) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
PubChem CID2547835
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide
SMILESCOc1ccc(-c2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2C)cc1
InChIInChI=1S/C24H24N4O3S/c1-15-21(16-7-9-18(30-2)10-8-16)26-23(32-15)27-22(29)17-11-13-28(14-12-17)24-25-19-5-3-4-6-20(19)31-24/h3-10,17H,11-14H2,1-2H3,(H,26,27,29)
InChIKeyZAALKEVYFJJSSL-UHFFFAOYSA-N
XLogP5.12
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.55
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The IUPAC name of 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide (CID 2547835) is 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The canonical SMILES for 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is COc1ccc(-c2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2C)cc1.
What is the InChIKey of 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
The InChIKey is ZAALKEVYFJJSSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-15-21(16-7-9-18(30-2)10-8-16)26-23(32-15)27-22(29)17-11-13-28(14-12-17)24-25-19-5-3-4-6-20(19)31-24/h3-10,17H,11-14H2,1-2H3,(H,26,27,29).
What are the key properties of 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide?
1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide has a molecular weight of 448.55 g/mol, XLogP of 5.12, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzoxazol-2-yl)-N-[4-(4-methoxyphenyl)-5-methyl-1,3-thiazol-2-yl]piperidine-4-carboxamide is sourced from PubChem (CID 2547835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).