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

C20H24N2O2S — CID 5273093

IUPAC5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(-c3nc(C)c(C)s3)cc2)on1
InChIInChI=1S/C20H24N2O2S/c1-14-13-19(24-22-14)7-5-4-6-12-23-18-10-8-17(9-11-18)20-21-15(2)16(3)25-20/h8-11,13H,4-7,12H2,1-3H3
InChIKeyAQIFIOHOLZILQW-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.52
Rot. Bonds8

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

5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (PubChem CID 5273093) has the molecular formula C20H24N2O2S and a molecular weight of 356.49 g/mol. Its IUPAC name is 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
PubChem CID5273093
Molecular FormulaC20H24N2O2S
Molecular Weight356.49 g/mol
Exact Mass356.16
IUPAC Name5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole
SMILESCc1cc(CCCCCOc2ccc(-c3nc(C)c(C)s3)cc2)on1
InChIInChI=1S/C20H24N2O2S/c1-14-13-19(24-22-14)7-5-4-6-12-23-18-10-8-17(9-11-18)20-21-15(2)16(3)25-20/h8-11,13H,4-7,12H2,1-3H3
InChIKeyAQIFIOHOLZILQW-UHFFFAOYSA-N
XLogP5.52
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(s)-3-(Isoxazol-3-yl)-3-(4-((4-methyl-2-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methoxy)phenyl)propanoic acid
CID 24897670
5-Methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-3-phenylisoxazole
CID 2745588
8-(4-Methoxyphenyl)-2-(2-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747776
8-(4-Methoxyphenyl)-2-propan-2-yl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747779
8-(4-Methoxyphenyl)-2-(3-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24789517
2-Cyclohexyl-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24789518
5-[5-[2,6-Dichloro-4-(4,5-dimethylthiazol-2-yl)phenoxy]pentyl]-3-methyl-isoxazole
CID 515421
1-[2-(4-Methoxyphenyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one
CID 4826336
8-(4-Methoxyphenyl)-2-phenyl-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747813
5-Methyl-3-phenyl-4-[2-[4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-1,3-thiazol-4-yl]-1,2-oxazole
CID 2742370
2-(4-Ethoxyphenyl)-8-(4-methoxyphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747778
8-(4-Methoxyphenyl)-2-(4-methylphenyl)-4,5-dihydro-[1,3]thiazolo[4,5-e][1,2]benzoxazole
CID 24747803

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole (CID 5273093) is 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is Cc1cc(CCCCCOc2ccc(-c3nc(C)c(C)s3)cc2)on1.
What is the InChIKey of 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
The InChIKey is AQIFIOHOLZILQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O2S/c1-14-13-19(24-22-14)7-5-4-6-12-23-18-10-8-17(9-11-18)20-21-15(2)16(3)25-20/h8-11,13H,4-7,12H2,1-3H3.
What are the key properties of 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole?
5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole has a molecular weight of 356.49 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(4,5-dimethyl-1,3-thiazol-2-yl)phenoxy]pentyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 5273093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).