[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

C17H21ClN4O4 — CID 24819377

IUPAC[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)CC1
InChIInChI=1S/C17H21ClN4O4/c1-24-7-6-21-2-4-22(5-3-21)17(23)16-9-15(26-20-16)12-25-14-8-13(18)10-19-11-14/h8-11H,2-7,12H2,1H3
InChIKeyASVDYYRNWYYFAZ-UHFFFAOYSA-N
MW380.83 g/mol
LogP1.71
Rot. Bonds7

About [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone

[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (PubChem CID 24819377) has the molecular formula C17H21ClN4O4 and a molecular weight of 380.83 g/mol. Its IUPAC name is [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
PubChem CID24819377
Molecular FormulaC17H21ClN4O4
Molecular Weight380.83 g/mol
Exact Mass380.13
IUPAC Name[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
SMILESCOCCN1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)CC1
InChIInChI=1S/C17H21ClN4O4/c1-24-7-6-21-2-4-22(5-3-21)17(23)16-9-15(26-20-16)12-25-14-8-13(18)10-19-11-14/h8-11H,2-7,12H2,1H3
InChIKeyASVDYYRNWYYFAZ-UHFFFAOYSA-N
XLogP1.71
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.83
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone with MolForge

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Related Compounds

[5-(methoxymethyl)-1,2-oxazol-3-yl]-(4-methylpiperazin-1-yl)methanone
CID 66158147
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-(2-ethoxyethyl)-1,2-oxazole-3-carboxamide
CID 56744162
[4-(4-chlorophenyl)piperazin-1-yl]-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 71995038
2-[4-[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]piperazin-1-yl]acetonitrile
CID 66156346
[2-[3-[(2-chlorophenyl)methoxy]phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 46165575
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 42394007
(2,4-dichlorophenyl)-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 52541764
5-[(5-chloro-3-pyridinyl)oxymethyl]-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-1,2-oxazole-3-carboxamide
CID 42520492
[2-[4-(2-methoxyethoxy)phenyl]-1,3-thiazol-4-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 46067944
azocan-1-yl-[5-[(3,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 24793926
(4-hydroxy-4-methylpiperidin-1-yl)-[5-(methoxymethyl)-1,2-oxazol-3-yl]methanone
CID 80707358
[5-[(3,4-difluorophenoxy)methyl]-1,2-oxazol-3-yl]-morpholin-4-ylmethanone
CID 24790853

Frequently Asked Questions

What is the IUPAC name of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The IUPAC name of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone (CID 24819377) is [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is COCCN1CCN(C(=O)c2cc(COc3cncc(Cl)c3)on2)CC1.
What is the InChIKey of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
The InChIKey is ASVDYYRNWYYFAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O4/c1-24-7-6-21-2-4-22(5-3-21)17(23)16-9-15(26-20-16)12-25-14-8-13(18)10-19-11-14/h8-11H,2-7,12H2,1H3.
What are the key properties of [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone?
[5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone has a molecular weight of 380.83 g/mol, XLogP of 1.71, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(5-chloro-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 24819377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).