ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate

C13H21N3O3 — CID 75374923

IUPACethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(Cc2ncc(C)o2)CC1
InChIInChI=1S/C13H21N3O3/c1-3-18-13(17)15-11-4-6-16(7-5-11)9-12-14-8-10(2)19-12/h8,11H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyUTIQPDGCAYUPFB-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.69
Rot. Bonds4

About ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate

ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate (PubChem CID 75374923) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
PubChem CID75374923
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Nameethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)NC1CCN(Cc2ncc(C)o2)CC1
InChIInChI=1S/C13H21N3O3/c1-3-18-13(17)15-11-4-6-16(7-5-11)9-12-14-8-10(2)19-12/h8,11H,3-7,9H2,1-2H3,(H,15,17)
InChIKeyUTIQPDGCAYUPFB-UHFFFAOYSA-N
XLogP1.69
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate (CID 75374923) is ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate is CCOC(=O)NC1CCN(Cc2ncc(C)o2)CC1.
What is the InChIKey of ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate?
The InChIKey is UTIQPDGCAYUPFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-3-18-13(17)15-11-4-6-16(7-5-11)9-12-14-8-10(2)19-12/h8,11H,3-7,9H2,1-2H3,(H,15,17).
What are the key properties of ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate?
ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate has a molecular weight of 267.33 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[(5-methyl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 75374923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).