5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

C19H24ClN3O5 — CID 24819558

IUPAC5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCCN3CCCC(O)C3)no2)c(Cl)c1
InChIInChI=1S/C19H24ClN3O5/c1-26-14-4-5-18(16(20)9-14)27-12-15-10-17(22-28-15)19(25)21-6-8-23-7-2-3-13(24)11-23/h4-5,9-10,13,24H,2-3,6-8,11-12H2,1H3,(H,21,25)
InChIKeyWKDGOHCBRPSYPC-UHFFFAOYSA-N
MW409.87 g/mol
LogP2.10
Rot. Bonds8

About 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide

5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24819558) has the molecular formula C19H24ClN3O5 and a molecular weight of 409.87 g/mol. Its IUPAC name is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID24819558
Molecular FormulaC19H24ClN3O5
Molecular Weight409.87 g/mol
Exact Mass409.14
IUPAC Name5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OCc2cc(C(=O)NCCN3CCCC(O)C3)no2)c(Cl)c1
InChIInChI=1S/C19H24ClN3O5/c1-26-14-4-5-18(16(20)9-14)27-12-15-10-17(22-28-15)19(25)21-6-8-23-7-2-3-13(24)11-23/h4-5,9-10,13,24H,2-3,6-8,11-12H2,1H3,(H,21,25)
InChIKeyWKDGOHCBRPSYPC-UHFFFAOYSA-N
XLogP2.10
TPSA97.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.87
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-[(4-fluorophenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 167925570
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 24817067
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 56751364
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-ethyl-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42288730
methyl (2S,3S)-2-[[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]-3-methylpentanoate
CID 42356603
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-methyl-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 29151221
ethyl (3S)-3-[[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazole-3-carbonyl]amino]-4-methylpentanoate
CID 42216719
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(7-ethyl-2,7-diazaspiro[4.4]nonan-2-yl)methanone
CID 45197907
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[(2S)-1-pyridin-2-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42101315
N-[3-[(2S)-2-(hydroxymethyl)piperidin-1-yl]propyl]-5-[(3-methoxyphenoxy)methyl]-1,2-oxazole-3-carboxamide
CID 26327679
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(triazol-1-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56760280

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide (CID 24819558) is 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is COc1ccc(OCc2cc(C(=O)NCCN3CCCC(O)C3)no2)c(Cl)c1.
What is the InChIKey of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is WKDGOHCBRPSYPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O5/c1-26-14-4-5-18(16(20)9-14)27-12-15-10-17(22-28-15)19(25)21-6-8-23-7-2-3-13(24)11-23/h4-5,9-10,13,24H,2-3,6-8,11-12H2,1H3,(H,21,25).
What are the key properties of 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide?
5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 409.87 g/mol, XLogP of 2.10, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chloro-4-methoxyphenoxy)methyl]-N-[2-(3-hydroxypiperidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24819558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).