N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide

C21H29N3O2 — CID 47055602

IUPACN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-7-5-6-8-17(15)20(25)23-16-9-11-24(12-10-16)14-19-22-13-18(26-19)21(2,3)4/h5-8,13,16H,9-12,14H2,1-4H3,(H,23,25)
InChIKeyUQXSAJZOGGCHSP-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.67
Rot. Bonds4

About N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide

N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide (PubChem CID 47055602) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide
PubChem CID47055602
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)NC1CCN(Cc2ncc(C(C)(C)C)o2)CC1
InChIInChI=1S/C21H29N3O2/c1-15-7-5-6-8-17(15)20(25)23-16-9-11-24(12-10-16)14-19-22-13-18(26-19)21(2,3)4/h5-8,13,16H,9-12,14H2,1-4H3,(H,23,25)
InChIKeyUQXSAJZOGGCHSP-UHFFFAOYSA-N
XLogP3.67
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The IUPAC name of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide (CID 47055602) is N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide.
What is the SMILES notation for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The canonical SMILES for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide is Cc1ccccc1C(=O)NC1CCN(Cc2ncc(C(C)(C)C)o2)CC1.
What is the InChIKey of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
The InChIKey is UQXSAJZOGGCHSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15-7-5-6-8-17(15)20(25)23-16-9-11-24(12-10-16)14-19-22-13-18(26-19)21(2,3)4/h5-8,13,16H,9-12,14H2,1-4H3,(H,23,25).
What are the key properties of N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide?
N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide has a molecular weight of 355.48 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]-2-methylbenzamide is sourced from PubChem (CID 47055602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).