N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide

C22H29N3O4 — CID 24817144

IUPACN-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1C(=O)c1cc(COc2cc(C)ccc2C)on1
InChIInChI=1S/C22H29N3O4/c1-15-7-8-16(2)21(12-15)28-14-19-13-20(24-29-19)22(27)25-11-5-4-6-18(25)9-10-23-17(3)26/h7-8,12-13,18H,4-6,9-11,14H2,1-3H3,(H,23,26)
InChIKeyUTBBRDAXAZKMDE-UHFFFAOYSA-N
MW399.49 g/mol
LogP3.39
Rot. Bonds7

About N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide

N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide (PubChem CID 24817144) has the molecular formula C22H29N3O4 and a molecular weight of 399.49 g/mol. Its IUPAC name is N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
PubChem CID24817144
Molecular FormulaC22H29N3O4
Molecular Weight399.49 g/mol
Exact Mass399.22
IUPAC NameN-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
SMILESCC(=O)NCCC1CCCCN1C(=O)c1cc(COc2cc(C)ccc2C)on1
InChIInChI=1S/C22H29N3O4/c1-15-7-8-16(2)21(12-15)28-14-19-13-20(24-29-19)22(27)25-11-5-4-6-18(25)9-10-23-17(3)26/h7-8,12-13,18H,4-6,9-11,14H2,1-3H3,(H,23,26)
InChIKeyUTBBRDAXAZKMDE-UHFFFAOYSA-N
XLogP3.39
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[(2S)-2-(2-aminoethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 124514420
[5-[(2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95226044
[4-(2-chlorophenyl)piperazin-1-yl]-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42147594
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 42292261
[2-(bromomethyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80659175
N-[2-[(2R)-1-[1-(difluoromethyl)pyrazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide
CID 97206852
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 45170984
ethyl 2-[1-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 45185476
5-[(2,5-dimethylphenoxy)methyl]-N-(2-methylsulfanylethyl)-1,2-oxazole-3-carboxamide
CID 126460362
[2-(2-hydroxypropyl)piperidin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 79548607
ethyl 1-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-2-carboxylate
CID 45192926
ethyl 2-[(2R)-1-[5-[(2,6-difluorophenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]acetate
CID 42195751

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide (CID 24817144) is N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide is CC(=O)NCCC1CCCCN1C(=O)c1cc(COc2cc(C)ccc2C)on1.
What is the InChIKey of N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide?
The InChIKey is UTBBRDAXAZKMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4/c1-15-7-8-16(2)21(12-15)28-14-19-13-20(24-29-19)22(27)25-11-5-4-6-18(25)9-10-23-17(3)26/h7-8,12-13,18H,4-6,9-11,14H2,1-3H3,(H,23,26).
What are the key properties of N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide?
N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide has a molecular weight of 399.49 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[5-[(2,5-dimethylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidin-2-yl]ethyl]acetamide is sourced from PubChem (CID 24817144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).