[2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol

C28H39NO2 — CID 142999885

IUPAC[2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol
SMILESCCCCCCCCCc1ccc(-c2ccc(CCC3(CO)COC(C)=N3)cc2)cc1
InChIInChI=1S/C28H39NO2/c1-3-4-5-6-7-8-9-10-24-11-15-26(16-12-24)27-17-13-25(14-18-27)19-20-28(21-30)22-31-23(2)29-28/h11-18,30H,3-10,19-22H2,1-2H3
InChIKeyLPMFJYRSLYURPF-UHFFFAOYSA-N
MW421.63 g/mol
LogP6.76
Rot. Bonds13

About [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol

[2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol (PubChem CID 142999885) has the molecular formula C28H39NO2 and a molecular weight of 421.63 g/mol. Its IUPAC name is [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol
PubChem CID142999885
Molecular FormulaC28H39NO2
Molecular Weight421.63 g/mol
Exact Mass421.30
IUPAC Name[2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol
SMILESCCCCCCCCCc1ccc(-c2ccc(CCC3(CO)COC(C)=N3)cc2)cc1
InChIInChI=1S/C28H39NO2/c1-3-4-5-6-7-8-9-10-24-11-15-26(16-12-24)27-17-13-25(14-18-27)19-20-28(21-30)22-31-23(2)29-28/h11-18,30H,3-10,19-22H2,1-2H3
InChIKeyLPMFJYRSLYURPF-UHFFFAOYSA-N
XLogP6.76
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.63
LogP ≤ 56.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ROMe
CID 71458556
2-(2-Phenylethyl)-4,4(5H)-oxazoledimethanol
CID 1511173
(2S)-2-amino-2-(methoxymethyl)-4-(4-octylphenyl)butan-1-ol
CID 118734328
4,5-Dihydro-2-methyl-4-[2-(4-octylphenyl)ethyl]-4-oxazolemethanol
CID 71316181
4-Methyl-2-(4-phenylbenzyl)-2-oxazoline-4-methanol
CID 193256
FTY720 methyl ether
CID 71101572
4-[2-[4-[(Z,5Z)-5-ethylidenenon-6-enyl]phenyl]ethyl]-4-(2-fluoroethyl)-2-methyl-5H-1,3-oxazole
CID 143349374
ditert-butyl [4-[2-[2-fluoro-4-(4-phenylbutyl)phenyl]ethyl]-2-methyl-5H-1,3-oxazol-4-yl]methyl phosphite
CID 143349420
(2R)-2-amino-4-[4-(4-ethenylphenyl)phenyl]-2-methylbutan-1-ol
CID 9882186
2-Amino-2-[2-(4'-hexylbiphenyl-4-yl)-ethyl]propane-1,3-diol
CID 11416957
2-Amino-2-[2-[4-(4-butylphenyl)phenyl]ethyl]propane-1,3-diol
CID 11508157
2-Amino-2-[2-(4-phenylphenyl)ethyl]propane-1,3-diol
CID 11514583

Frequently Asked Questions

What is the IUPAC name of [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol (CID 142999885) is [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol is CCCCCCCCCc1ccc(-c2ccc(CCC3(CO)COC(C)=N3)cc2)cc1.
What is the InChIKey of [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol?
The InChIKey is LPMFJYRSLYURPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39NO2/c1-3-4-5-6-7-8-9-10-24-11-15-26(16-12-24)27-17-13-25(14-18-27)19-20-28(21-30)22-31-23(2)29-28/h11-18,30H,3-10,19-22H2,1-2H3.
What are the key properties of [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol?
[2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol has a molecular weight of 421.63 g/mol, XLogP of 6.76, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-4-[2-[4-(4-nonylphenyl)phenyl]ethyl]-5H-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 142999885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).