4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

C18H24ClN3O3 — CID 50980900

IUPAC4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCC1=NOC(CNC(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C1
InChIInChI=1S/C18H24ClN3O3/c1-2-14-11-16(25-22-14)12-21-17(23)18(7-9-20-10-8-18)24-15-5-3-13(19)4-6-15/h3-6,16,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyRIYJCVJTNYYCRW-UHFFFAOYSA-N
MW365.86 g/mol
LogP2.51
Rot. Bonds6

About 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide

4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (PubChem CID 50980900) has the molecular formula C18H24ClN3O3 and a molecular weight of 365.86 g/mol. Its IUPAC name is 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
PubChem CID50980900
Molecular FormulaC18H24ClN3O3
Molecular Weight365.86 g/mol
Exact Mass365.15
IUPAC Name4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide
SMILESCCC1=NOC(CNC(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C1
InChIInChI=1S/C18H24ClN3O3/c1-2-14-11-16(25-22-14)12-21-17(23)18(7-9-20-10-8-18)24-15-5-3-13(19)4-6-15/h3-6,16,20H,2,7-12H2,1H3,(H,21,23)
InChIKeyRIYJCVJTNYYCRW-UHFFFAOYSA-N
XLogP2.51
TPSA71.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chlorophenoxy)-N-[2-(dimethylamino)ethyl]piperidine-4-carboxamide
CID 50980610
4-[[3-(4-chlorophenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]-N-(cyclohexylmethyl)piperidine-4-carboxamide
CID 24856196
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 98324504
N-[(4-chlorophenyl)methyl]-4-methoxypiperidine-4-carboxamide
CID 119669752
[4-(4-chlorophenoxy)piperidin-4-yl]-[(2R,6S)-2,6-dimethylmorpholin-4-yl]methanone
CID 50977359
2-chloro-N-[[1-[4-(4-chlorophenoxy)piperidine-4-carbonyl]piperidin-4-yl]methyl]acetamide
CID 168654849
4-(4-methylphenoxy)-N-[(5-methylpyrazin-2-yl)methyl]piperidine-4-carboxamide;hydrochloride
CID 154897274
4-chloro-N-[(3-methyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 53017197
N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-2-(4-ethyl-2-oxochromen-7-yl)oxyacetamide
CID 171909334
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]benzamide
CID 50976410
4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[[(5S)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]benzamide
CID 95137940
1-[[(5R)-3-ethyl-4,5-dihydro-1,2-oxazol-5-yl]methyl]-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 125158191

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The IUPAC name of 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide (CID 50980900) is 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide.
What is the SMILES notation for 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The canonical SMILES for 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is CCC1=NOC(CNC(=O)C2(Oc3ccc(Cl)cc3)CCNCC2)C1.
What is the InChIKey of 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
The InChIKey is RIYJCVJTNYYCRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O3/c1-2-14-11-16(25-22-14)12-21-17(23)18(7-9-20-10-8-18)24-15-5-3-13(19)4-6-15/h3-6,16,20H,2,7-12H2,1H3,(H,21,23).
What are the key properties of 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide?
4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide has a molecular weight of 365.86 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenoxy)-N-[(3-ethyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]piperidine-4-carboxamide is sourced from PubChem (CID 50980900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).