5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole

C19H27NO3S — CID 158606349

IUPAC5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole
SMILESCC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccno2)cc1
InChIInChI=1S/C19H27NO3S/c1-16(2)24(21,22)15-7-5-3-4-6-8-17-9-11-18(12-10-17)19-13-14-20-23-19/h9-14,16H,3-8,15H2,1-2H3
InChIKeyWFXCYCNPPNZSIO-UHFFFAOYSA-N
MW349.50 g/mol
LogP4.66
Rot. Bonds10

About 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole

5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole (PubChem CID 158606349) has the molecular formula C19H27NO3S and a molecular weight of 349.50 g/mol. Its IUPAC name is 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole
PubChem CID158606349
Molecular FormulaC19H27NO3S
Molecular Weight349.50 g/mol
Exact Mass349.17
IUPAC Name5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole
SMILESCC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccno2)cc1
InChIInChI=1S/C19H27NO3S/c1-16(2)24(21,22)15-7-5-3-4-6-8-17-9-11-18(12-10-17)19-13-14-20-23-19/h9-14,16H,3-8,15H2,1-2H3
InChIKeyWFXCYCNPPNZSIO-UHFFFAOYSA-N
XLogP4.66
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.50
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-hexylphenyl)-1,2-oxazole
CID 90878874
N,N-dimethyl-4-(8-propan-2-ylsulfonyloctyl)aniline
CID 59545884
1-methyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]piperazine
CID 59545521
methyl 4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]butanoate
CID 59546172
(2R,6S)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]sulfonylmorpholine
CID 161233704
(2S,6R)-2,6-dimethyl-4-[4-(7-propan-2-ylsulfonylheptyl)phenyl]morpholine
CID 59546337
1-phenyl-11-propan-2-ylsulfonylundecan-6-one
CID 58144246
2-fluoro-1-methoxy-4-(7-propan-2-ylsulfonylheptyl)benzene
CID 160748742
2-fluoro-5-(7-propan-2-ylsulfonylheptyl)-2,3-dihydro-1H-indene
CID 59549855
2-methyl-6-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614788
(2R,6R)-2,6-dimethyl-4-[5-(7-propan-2-ylsulfonylheptyl)-2-pyridinyl]morpholine
CID 160858579
3-(7-propan-2-ylsulfonylheptyl)quinoline
CID 158614787

Frequently Asked Questions

What is the IUPAC name of 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole?
The IUPAC name of 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole (CID 158606349) is 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole.
What is the SMILES notation for 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole?
The canonical SMILES for 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole is CC(C)S(=O)(=O)CCCCCCCc1ccc(-c2ccno2)cc1.
What is the InChIKey of 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole?
The InChIKey is WFXCYCNPPNZSIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO3S/c1-16(2)24(21,22)15-7-5-3-4-6-8-17-9-11-18(12-10-17)19-13-14-20-23-19/h9-14,16H,3-8,15H2,1-2H3.
What are the key properties of 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole?
5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole has a molecular weight of 349.50 g/mol, XLogP of 4.66, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(7-propan-2-ylsulfonylheptyl)phenyl]-1,2-oxazole is sourced from PubChem (CID 158606349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).