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

C16H27N3O3 — CID 75371375

IUPACethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)N(C)C1CCN(Cc2ncc(C(C)C)o2)CC1
InChIInChI=1S/C16H27N3O3/c1-5-21-16(20)18(4)13-6-8-19(9-7-13)11-15-17-10-14(22-15)12(2)3/h10,12-13H,5-9,11H2,1-4H3
InChIKeyLOMVBORAOFTCTD-UHFFFAOYSA-N
MW309.41 g/mol
LogP2.85
Rot. Bonds5

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

ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate (PubChem CID 75371375) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate.

Molecular Properties

Compound Nameethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
PubChem CID75371375
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC Nameethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate
SMILESCCOC(=O)N(C)C1CCN(Cc2ncc(C(C)C)o2)CC1
InChIInChI=1S/C16H27N3O3/c1-5-21-16(20)18(4)13-6-8-19(9-7-13)11-15-17-10-14(22-15)12(2)3/h10,12-13H,5-9,11H2,1-4H3
InChIKeyLOMVBORAOFTCTD-UHFFFAOYSA-N
XLogP2.85
TPSA58.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate?
The IUPAC name of ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate (CID 75371375) is ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate.
What is the SMILES notation for ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate?
The canonical SMILES for ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate is CCOC(=O)N(C)C1CCN(Cc2ncc(C(C)C)o2)CC1.
What is the InChIKey of ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate?
The InChIKey is LOMVBORAOFTCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-5-21-16(20)18(4)13-6-8-19(9-7-13)11-15-17-10-14(22-15)12(2)3/h10,12-13H,5-9,11H2,1-4H3.
What are the key properties of ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate?
ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate has a molecular weight of 309.41 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-methyl-N-[1-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperidin-4-yl]carbamate is sourced from PubChem (CID 75371375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).