4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide

C23H28N4O3 — CID 140933940

IUPAC4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
SMILESCOC1C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C23H28N4O3/c1-23(2)21(29-3)20(26-30-23)16-9-11-17(12-10-16)22(28)27(18-7-6-13-24-15-18)19-8-4-5-14-25-19/h4-5,8-12,14,18,21,24H,6-7,13,15H2,1-3H3
InChIKeyIMHUBQUOTBRPKW-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.01
Rot. Bonds5

About 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide

4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide (PubChem CID 140933940) has the molecular formula C23H28N4O3 and a molecular weight of 408.50 g/mol. Its IUPAC name is 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide.

Molecular Properties

Compound Name4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
PubChem CID140933940
Molecular FormulaC23H28N4O3
Molecular Weight408.50 g/mol
Exact Mass408.22
IUPAC Name4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide
SMILESCOC1C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)=NOC1(C)C
InChIInChI=1S/C23H28N4O3/c1-23(2)21(29-3)20(26-30-23)16-9-11-17(12-10-16)22(28)27(18-7-6-13-24-15-18)19-8-4-5-14-25-19/h4-5,8-12,14,18,21,24H,6-7,13,15H2,1-3H3
InChIKeyIMHUBQUOTBRPKW-UHFFFAOYSA-N
XLogP3.01
TPSA76.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The IUPAC name of 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide (CID 140933940) is 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide.
What is the SMILES notation for 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The canonical SMILES for 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide is COC1C(c2ccc(C(=O)N(c3ccccn3)C3CCCNC3)cc2)=NOC1(C)C.
What is the InChIKey of 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
The InChIKey is IMHUBQUOTBRPKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O3/c1-23(2)21(29-3)20(26-30-23)16-9-11-17(12-10-16)22(28)27(18-7-6-13-24-15-18)19-8-4-5-14-25-19/h4-5,8-12,14,18,21,24H,6-7,13,15H2,1-3H3.
What are the key properties of 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide?
4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide has a molecular weight of 408.50 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-5,5-dimethyl-4H-1,2-oxazol-3-yl)-N-piperidin-3-yl-N-pyridin-2-ylbenzamide is sourced from PubChem (CID 140933940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).