2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid

C25H25NO6 — CID 10836630

IUPAC2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1Cc1cc2cc(CC(OCCCO)C(=O)O)ccc2o1
InChIInChI=1S/C25H25NO6/c1-16-21(26-24(31-16)18-6-3-2-4-7-18)15-20-14-19-12-17(8-9-22(19)32-20)13-23(25(28)29)30-11-5-10-27/h2-4,6-9,12,14,23,27H,5,10-11,13,15H2,1H3,(H,28,29)
InChIKeyHCRUWLDZJBXNNG-UHFFFAOYSA-N
MW435.48 g/mol
LogP4.38
Rot. Bonds10

About 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid

2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid (PubChem CID 10836630) has the molecular formula C25H25NO6 and a molecular weight of 435.48 g/mol. Its IUPAC name is 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid.

Molecular Properties

Compound Name2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid
PubChem CID10836630
Molecular FormulaC25H25NO6
Molecular Weight435.48 g/mol
Exact Mass435.17
IUPAC Name2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid
SMILESCc1oc(-c2ccccc2)nc1Cc1cc2cc(CC(OCCCO)C(=O)O)ccc2o1
InChIInChI=1S/C25H25NO6/c1-16-21(26-24(31-16)18-6-3-2-4-7-18)15-20-14-19-12-17(8-9-22(19)32-20)13-23(25(28)29)30-11-5-10-27/h2-4,6-9,12,14,23,27H,5,10-11,13,15H2,1H3,(H,28,29)
InChIKeyHCRUWLDZJBXNNG-UHFFFAOYSA-N
XLogP4.38
TPSA105.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.48
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-bromo-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoate
CID 10671958
4-[[5-[2,2-bis(prop-2-enoxy)ethyl]-1-benzofuran-2-yl]methyl]-5-methyl-2-phenyl-1,3-oxazole
CID 10836339
2-ethoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid;2-ethoxy-3-[2-[(4-phenylmethoxyphenyl)methyl]-1-benzofuran-5-yl]propanoic acid
CID 160623624
ethyl 3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]-2-methylsulfanylpropanoate
CID 10550862
ethyl (Z)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-enoate
CID 67619983
(2S)-2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 10273971
2-ethoxy-3-[4-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propanoyl]phenyl]propanoic acid
CID 19746204
[(E)-4-(carbamoylamino)-2-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]but-2-enyl] methyl carbonate
CID 67635245
(2R)-2-(4-tert-butylphenoxy)-3-[2-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]-1,3-benzoxazol-5-yl]propanoic acid
CID 54768639
2-ethoxy-3-[3-methoxy-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 18003547
[[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-6-yl]-phenylmethyl] propanoate
CID 57207829
methyl (2S)-3-[2-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]-1,3-benzoxazol-5-yl]-2-(4-phenylphenoxy)propanoate
CID 54768465

Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid?
The IUPAC name of 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid (CID 10836630) is 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid.
What is the SMILES notation for 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid?
The canonical SMILES for 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid is Cc1oc(-c2ccccc2)nc1Cc1cc2cc(CC(OCCCO)C(=O)O)ccc2o1.
What is the InChIKey of 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid?
The InChIKey is HCRUWLDZJBXNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO6/c1-16-21(26-24(31-16)18-6-3-2-4-7-18)15-20-14-19-12-17(8-9-22(19)32-20)13-23(25(28)29)30-11-5-10-27/h2-4,6-9,12,14,23,27H,5,10-11,13,15H2,1H3,(H,28,29).
What are the key properties of 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid?
2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid has a molecular weight of 435.48 g/mol, XLogP of 4.38, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxypropoxy)-3-[2-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-1-benzofuran-5-yl]propanoic acid is sourced from PubChem (CID 10836630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).