5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one

C21H23NO5 — CID 67590936

IUPAC5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one
SMILESCOc1ccc(-c2c(O)o[nH]c2=O)cc1OCCCCCc1ccccc1
InChIInChI=1S/C21H23NO5/c1-25-17-12-11-16(19-20(23)22-27-21(19)24)14-18(17)26-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14,24H,3,6-7,10,13H2,1H3,(H,22,23)
InChIKeyKWJZOHUDXRNLSR-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.14
Rot. Bonds9

About 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one

5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one (PubChem CID 67590936) has the molecular formula C21H23NO5 and a molecular weight of 369.42 g/mol. Its IUPAC name is 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one
PubChem CID67590936
Molecular FormulaC21H23NO5
Molecular Weight369.42 g/mol
Exact Mass369.16
IUPAC Name5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one
SMILESCOc1ccc(-c2c(O)o[nH]c2=O)cc1OCCCCCc1ccccc1
InChIInChI=1S/C21H23NO5/c1-25-17-12-11-16(19-20(23)22-27-21(19)24)14-18(17)26-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14,24H,3,6-7,10,13H2,1H3,(H,22,23)
InChIKeyKWJZOHUDXRNLSR-UHFFFAOYSA-N
XLogP4.14
TPSA84.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-methoxy-3-(3-phenylpropoxy)phenyl]methanamine
CID 22685843
3,4-bis(4-phenylbutoxy)phenol
CID 146326357
2-ethyl-4-imino-2-methoxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]butanoic acid
CID 89064015
(4aS,8aR)-2-cycloheptyl-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-4a,5,8,8a-tetrahydrophthalazin-1-one
CID 101133937
3-methoxy-4-(2-phenylethoxy)benzoic acid
CID 18070578
6-[4-methoxy-3-(5-phenylpentoxy)phenyl]-3,6-dimethyl-1,3-oxazinan-2-one
CID 21189771
5-hydroxy-1-[4-methoxy-3-(2-phenylethoxy)phenyl]-12-phenyldodecan-3-one
CID 163096577
2-[3-methoxy-4-(3-phenylpropoxy)phenyl]acetate
CID 7139445
2,6-bis(5-phenylpentoxy)phenol
CID 57224356
[5-methoxy-4-(3-phenylpropoxy)-2-pyridinyl]methanol
CID 21221229
3-phenylpropyl 4-hydroxy-3-methoxybenzoate
CID 11977890
(E)-1-(3,4-dimethoxyphenyl)-9-phenylnon-2-en-1-one
CID 10618001

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one?
The IUPAC name of 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one (CID 67590936) is 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one.
What is the SMILES notation for 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one?
The canonical SMILES for 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one is COc1ccc(-c2c(O)o[nH]c2=O)cc1OCCCCCc1ccccc1.
What is the InChIKey of 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one?
The InChIKey is KWJZOHUDXRNLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23NO5/c1-25-17-12-11-16(19-20(23)22-27-21(19)24)14-18(17)26-13-7-3-6-10-15-8-4-2-5-9-15/h2,4-5,8-9,11-12,14,24H,3,6-7,10,13H2,1H3,(H,22,23).
What are the key properties of 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one?
5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one has a molecular weight of 369.42 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-4-[4-methoxy-3-(5-phenylpentoxy)phenyl]-1,2-oxazol-3-one is sourced from PubChem (CID 67590936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).