N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide

C25H35N3O2 — CID 3238767

IUPACN-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCCCC4)C3)c(C)o2)c1
InChIInChI=1S/C25H35N3O2/c1-18-9-7-10-20(15-18)25-27-23(19(2)30-25)17-28-14-8-11-21(16-28)24(29)26-22-12-5-3-4-6-13-22/h7,9-10,15,21-22H,3-6,8,11-14,16-17H2,1-2H3,(H,26,29)
InChIKeyOZPGNDYAYQWBDW-UHFFFAOYSA-N
MW409.57 g/mol
LogP5.01
Rot. Bonds5

About N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide

N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (PubChem CID 3238767) has the molecular formula C25H35N3O2 and a molecular weight of 409.57 g/mol. Its IUPAC name is N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
PubChem CID3238767
Molecular FormulaC25H35N3O2
Molecular Weight409.57 g/mol
Exact Mass409.27
IUPAC NameN-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide
SMILESCc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCCCC4)C3)c(C)o2)c1
InChIInChI=1S/C25H35N3O2/c1-18-9-7-10-20(15-18)25-27-23(19(2)30-25)17-28-14-8-11-21(16-28)24(29)26-22-12-5-3-4-6-13-22/h7,9-10,15,21-22H,3-6,8,11-14,16-17H2,1-2H3,(H,26,29)
InChIKeyOZPGNDYAYQWBDW-UHFFFAOYSA-N
XLogP5.01
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.57
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The IUPAC name of N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide (CID 3238767) is N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide.
What is the SMILES notation for N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The canonical SMILES for N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is Cc1cccc(-c2nc(CN3CCCC(C(=O)NC4CCCCCC4)C3)c(C)o2)c1.
What is the InChIKey of N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
The InChIKey is OZPGNDYAYQWBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O2/c1-18-9-7-10-20(15-18)25-27-23(19(2)30-25)17-28-14-8-11-21(16-28)24(29)26-22-12-5-3-4-6-13-22/h7,9-10,15,21-22H,3-6,8,11-14,16-17H2,1-2H3,(H,26,29).
What are the key properties of N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide?
N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide has a molecular weight of 409.57 g/mol, XLogP of 5.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1-[[5-methyl-2-(3-methylphenyl)-1,3-oxazol-4-yl]methyl]piperidine-3-carboxamide is sourced from PubChem (CID 3238767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).