3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole

C18H24N2O2S — CID 54231038

IUPAC3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(C3NCCS3)cc2)on1
InChIInChI=1S/C18H24N2O2S/c1-14-13-17(22-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-23-18/h6-9,13,18-19H,2-5,10-12H2,1H3
InChIKeyQJGVWBJTGIPFLE-UHFFFAOYSA-N
MW332.47 g/mol
LogP4.11
Rot. Bonds8

About 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole

3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole (PubChem CID 54231038) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole
PubChem CID54231038
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC Name3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(C3NCCS3)cc2)on1
InChIInChI=1S/C18H24N2O2S/c1-14-13-17(22-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-23-18/h6-9,13,18-19H,2-5,10-12H2,1H3
InChIKeyQJGVWBJTGIPFLE-UHFFFAOYSA-N
XLogP4.11
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 18526272
(2R)-2-[4-(3-fluoropropoxy)phenyl]-1,3-thiazolidine
CID 42544288
4,5-dimethyl-2-[4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]phenyl]-1,3-oxazole
CID 515337
ethyl 4-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoate
CID 5271188
5-[5-[2,6-dimethyl-4-(5-methylfuran-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
CID 15954765
5-[5-[3-chloro-4-(4,5-dihydro-1,3-oxazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
CID 5271220
methyl 4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxylate
CID 21271267
5-heptyl-3-methyl-1,2-oxazole
CID 57223532
7-(3-methyl-1,2-oxazol-5-yl)heptan-1-ol
CID 19894069
lithium 5-[5-(2,6-dichlorobenzene-4-id-1-yl)oxypentyl]-3-methyl-1,2-oxazole
CID 10313912
2-[5-(3-methyl-1,2-oxazol-5-yl)pentoxy]benzoic acid
CID 150380057
N-(2-hydroxyethyl)-4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]thiophene-2-carboxamide
CID 54531037

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole?
The IUPAC name of 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole (CID 54231038) is 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole?
The canonical SMILES for 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole is Cc1cc(CCCCCOc2ccc(C3NCCS3)cc2)on1.
What is the InChIKey of 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole?
The InChIKey is QJGVWBJTGIPFLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-14-13-17(22-20-14)5-3-2-4-11-21-16-8-6-15(7-9-16)18-19-10-12-23-18/h6-9,13,18-19H,2-5,10-12H2,1H3.
What are the key properties of 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole?
3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole has a molecular weight of 332.47 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[5-[4-(1,3-thiazolidin-2-yl)phenoxy]pentyl]-1,2-oxazole is sourced from PubChem (CID 54231038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).