N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

C16H27N3O3 — CID 86948344

IUPACN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cc(C(C)C)no2)CC1
InChIInChI=1S/C16H27N3O3/c1-12(2)14-10-15(22-18-14)16(20)17-11-13-4-6-19(7-5-13)8-9-21-3/h10,12-13H,4-9,11H2,1-3H3,(H,17,20)
InChIKeyYXXKEONRHRWSJQ-UHFFFAOYSA-N
MW309.41 g/mol
LogP1.89
Rot. Bonds7

About N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide

N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (PubChem CID 86948344) has the molecular formula C16H27N3O3 and a molecular weight of 309.41 g/mol. Its IUPAC name is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
PubChem CID86948344
Molecular FormulaC16H27N3O3
Molecular Weight309.41 g/mol
Exact Mass309.21
IUPAC NameN-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide
SMILESCOCCN1CCC(CNC(=O)c2cc(C(C)C)no2)CC1
InChIInChI=1S/C16H27N3O3/c1-12(2)14-10-15(22-18-14)16(20)17-11-13-4-6-19(7-5-13)8-9-21-3/h10,12-13H,4-9,11H2,1-3H3,(H,17,20)
InChIKeyYXXKEONRHRWSJQ-UHFFFAOYSA-N
XLogP1.89
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-pyrrole-2-carboxamide
CID 71879932
3,4,5-trimethoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895501
3-methyl-N-[[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl]-1,2-oxazole-5-carboxamide
CID 99827620
4-methoxy-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895498
4-bromo-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]benzamide
CID 16895556
N-[[1-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-yl]methyl]acetamide
CID 56758529
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-6-methylpyridine-3-carboxamide
CID 71880041
(2S)-N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-propan-2-ylsulfonylpropanamide
CID 97085507
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-2-(6-methyl-3-pyridinyl)acetamide
CID 71880016
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 71880008
2-(4-methylpiperidin-1-yl)-N-(3-propan-2-yl-1,2-oxazol-5-yl)acetamide
CID 17395553
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-1H-indazole-7-carboxamide
CID 71879940

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide (CID 86948344) is N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is COCCN1CCC(CNC(=O)c2cc(C(C)C)no2)CC1.
What is the InChIKey of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
The InChIKey is YXXKEONRHRWSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O3/c1-12(2)14-10-15(22-18-14)16(20)17-11-13-4-6-19(7-5-13)8-9-21-3/h10,12-13H,4-9,11H2,1-3H3,(H,17,20).
What are the key properties of N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide?
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide has a molecular weight of 309.41 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-3-propan-2-yl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 86948344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).