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

C13H21N3O3 — CID 47861982

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H21N3O3/c1-9-12(10(2)19-15-9)7-14-13(18)16-5-3-11(8-17)4-6-16/h11,17H,3-8H2,1-2H3,(H,14,18)
InChIKeyFGUJIJZAEPQYSI-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.21
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (PubChem CID 47861982) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
PubChem CID47861982
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide
SMILESCc1noc(C)c1CNC(=O)N1CCC(CO)CC1
InChIInChI=1S/C13H21N3O3/c1-9-12(10(2)19-15-9)7-14-13(18)16-5-3-11(8-17)4-6-16/h11,17H,3-8H2,1-2H3,(H,14,18)
InChIKeyFGUJIJZAEPQYSI-UHFFFAOYSA-N
XLogP1.21
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide (CID 47861982) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is Cc1noc(C)c1CNC(=O)N1CCC(CO)CC1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
The InChIKey is FGUJIJZAEPQYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9-12(10(2)19-15-9)7-14-13(18)16-5-3-11(8-17)4-6-16/h11,17H,3-8H2,1-2H3,(H,14,18).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-(hydroxymethyl)piperidine-1-carboxamide is sourced from PubChem (CID 47861982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).