[2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol

C21H28N2O4 — CID 5272159

IUPAC[2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
SMILESCc1cc(CCCCCCCOc2ccc(C3=NCC(CO)O3)cc2)on1
InChIInChI=1S/C21H28N2O4/c1-16-13-19(27-23-16)7-5-3-2-4-6-12-25-18-10-8-17(9-11-18)21-22-14-20(15-24)26-21/h8-11,13,20,24H,2-7,12,14-15H2,1H3
InChIKeyRKCXCQAZSOBASC-UHFFFAOYSA-N
MW372.47 g/mol
LogP3.69
Rot. Bonds11

About [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol

[2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol (PubChem CID 5272159) has the molecular formula C21H28N2O4 and a molecular weight of 372.47 g/mol. Its IUPAC name is [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol.

Molecular Properties

Compound Name[2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
PubChem CID5272159
Molecular FormulaC21H28N2O4
Molecular Weight372.47 g/mol
Exact Mass372.20
IUPAC Name[2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol
SMILESCc1cc(CCCCCCCOc2ccc(C3=NCC(CO)O3)cc2)on1
InChIInChI=1S/C21H28N2O4/c1-16-13-19(27-23-16)7-5-3-2-4-6-12-25-18-10-8-17(9-11-18)21-22-14-20(15-24)26-21/h8-11,13,20,24H,2-7,12,14-15H2,1H3
InChIKeyRKCXCQAZSOBASC-UHFFFAOYSA-N
XLogP3.69
TPSA77.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?
The IUPAC name of [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol (CID 5272159) is [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol.
What is the SMILES notation for [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?
The canonical SMILES for [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol is Cc1cc(CCCCCCCOc2ccc(C3=NCC(CO)O3)cc2)on1.
What is the InChIKey of [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?
The InChIKey is RKCXCQAZSOBASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O4/c1-16-13-19(27-23-16)7-5-3-2-4-6-12-25-18-10-8-17(9-11-18)21-22-14-20(15-24)26-21/h8-11,13,20,24H,2-7,12,14-15H2,1H3.
What are the key properties of [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol?
[2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol has a molecular weight of 372.47 g/mol, XLogP of 3.69, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-[7-(3-methyl-1,2-oxazol-5-yl)heptoxy]phenyl]-4,5-dihydro-1,3-oxazol-5-yl]methanol is sourced from PubChem (CID 5272159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).