5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol

C22H35NO3 — CID 136694445

IUPAC5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESCCCCCCCCCCOc1ccc(C2=NC(C(C)C)CO2)c(O)c1
InChIInChI=1S/C22H35NO3/c1-4-5-6-7-8-9-10-11-14-25-18-12-13-19(21(24)15-18)22-23-20(16-26-22)17(2)3/h12-13,15,17,20,24H,4-11,14,16H2,1-3H3
InChIKeyUHMFOCSSMPIMAR-UHFFFAOYSA-N
MW361.53 g/mol
LogP5.71
Rot. Bonds12

About 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol

5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol (PubChem CID 136694445) has the molecular formula C22H35NO3 and a molecular weight of 361.53 g/mol. Its IUPAC name is 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
PubChem CID136694445
Molecular FormulaC22H35NO3
Molecular Weight361.53 g/mol
Exact Mass361.26
IUPAC Name5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol
SMILESCCCCCCCCCCOc1ccc(C2=NC(C(C)C)CO2)c(O)c1
InChIInChI=1S/C22H35NO3/c1-4-5-6-7-8-9-10-11-14-25-18-12-13-19(21(24)15-18)22-23-20(16-26-22)17(2)3/h12-13,15,17,20,24H,4-11,14,16H2,1-3H3
InChIKeyUHMFOCSSMPIMAR-UHFFFAOYSA-N
XLogP5.71
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.53
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(4S)-4-[(2S)-butan-2-yl]-4,5-dihydro-1,3-oxazol-2-yl]-3-hydroxyphenyl] 4-(4-decoxyphenyl)benzoate
CID 136694534
[4-[(4S)-4-butan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]-3-hydroxyphenyl] 3,4,5-tridodecoxybenzoate
CID 136679473
11-[3,5-bis[(4R)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenoxy]undecan-1-ol
CID 101253717
2-(2-hydroxy-4-nonoxyphenyl)pyrimidin-5-ol
CID 137235231
4-hexoxybenzene-1,2-diol
CID 23459322
(4R)-4-ethyl-2-(6-tetradecoxynaphthalen-2-yl)-4,5-dihydro-1,3-oxazole
CID 71422736
2-dodecoxy-6-hydroxyanthracene-9,10-dione
CID 71351025
(4S)-2-(7-methoxynaphthalen-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10265091
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol
CID 135581689
4-octadecoxyphenol
CID 22179059
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
2-[4,6-bis(2,4-dimethylphenyl)-1,3,5-triazin-2-yl]-5-tridecoxyphenol
CID 135828198

Frequently Asked Questions

What is the IUPAC name of 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The IUPAC name of 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol (CID 136694445) is 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The canonical SMILES for 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol is CCCCCCCCCCOc1ccc(C2=NC(C(C)C)CO2)c(O)c1.
What is the InChIKey of 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
The InChIKey is UHMFOCSSMPIMAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H35NO3/c1-4-5-6-7-8-9-10-11-14-25-18-12-13-19(21(24)15-18)22-23-20(16-26-22)17(2)3/h12-13,15,17,20,24H,4-11,14,16H2,1-3H3.
What are the key properties of 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol?
5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol has a molecular weight of 361.53 g/mol, XLogP of 5.71, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-decoxy-2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 136694445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).