[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone

C18H21ClN2O5 — CID 24817225

IUPAC[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)N2CCCC(OC)C2)no1
InChIInChI=1S/C18H21ClN2O5/c1-23-13-4-3-7-21(10-13)18(22)15-9-14(26-20-15)11-25-16-6-5-12(19)8-17(16)24-2/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3
InChIKeyGSCOCNPFOCVSGD-UHFFFAOYSA-N
MW380.83 g/mol
LogP3.17
Rot. Bonds6

About [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone

[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone (PubChem CID 24817225) has the molecular formula C18H21ClN2O5 and a molecular weight of 380.83 g/mol. Its IUPAC name is [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
PubChem CID24817225
Molecular FormulaC18H21ClN2O5
Molecular Weight380.83 g/mol
Exact Mass380.11
IUPAC Name[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone
SMILESCOc1cc(Cl)ccc1OCc1cc(C(=O)N2CCCC(OC)C2)no1
InChIInChI=1S/C18H21ClN2O5/c1-23-13-4-3-7-21(10-13)18(22)15-9-14(26-20-15)11-25-16-6-5-12(19)8-17(16)24-2/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3
InChIKeyGSCOCNPFOCVSGD-UHFFFAOYSA-N
XLogP3.17
TPSA74.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone with MolForge

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Related Compounds

[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45214951
(3-methoxypiperidin-1-yl)-[5-[[4-(1,2,4-triazol-1-yl)phenoxy]methyl]-1,2-oxazol-3-yl]methanone
CID 24790199
[5-[(2-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 26315353
[2-[(2-chloro-4-fluorophenoxy)methyl]-1,3-oxazol-4-yl]-[(3R)-3-methoxypiperidin-1-yl]methanone
CID 26391635
[(3R)-3-methylpiperidin-1-yl]-[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 25379228
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[5-[(3-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 42120570
(3-amino-4-methoxyphenyl)-(3-methoxypiperidin-1-yl)methanone
CID 102955038
(3-aminopiperidin-1-yl)-[5-[(2,6-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]methanone;hydrochloride
CID 119381953
(3-methylpiperidin-1-yl)-[5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanone
CID 45185350
[(3R)-3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-(4-ethoxy-3-methoxyphenyl)methanone
CID 52521512
(2-chlorofuran-3-yl)-(3-methoxypiperidin-1-yl)methanone
CID 106687373
5-[(4-chloro-2-methoxyphenoxy)methyl]-N-[(3,4-difluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 42527110

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone?
The IUPAC name of [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone (CID 24817225) is [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone.
What is the SMILES notation for [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone?
The canonical SMILES for [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone is COc1cc(Cl)ccc1OCc1cc(C(=O)N2CCCC(OC)C2)no1.
What is the InChIKey of [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone?
The InChIKey is GSCOCNPFOCVSGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O5/c1-23-13-4-3-7-21(10-13)18(22)15-9-14(26-20-15)11-25-16-6-5-12(19)8-17(16)24-2/h5-6,8-9,13H,3-4,7,10-11H2,1-2H3.
What are the key properties of [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone?
[5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone has a molecular weight of 380.83 g/mol, XLogP of 3.17, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-2-methoxyphenoxy)methyl]-1,2-oxazol-3-yl]-(3-methoxypiperidin-1-yl)methanone is sourced from PubChem (CID 24817225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).