methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate

C25H29NO4 — CID 23568566

IUPACmethyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate
SMILESCOC(=O)CCCCCc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C25H29NO4/c1-19-23(26-25(30-19)21-12-6-4-7-13-21)16-17-29-22-14-9-11-20(18-22)10-5-3-8-15-24(27)28-2/h4,6-7,9,11-14,18H,3,5,8,10,15-17H2,1-2H3
InChIKeyROCGPHVYJBSQCN-UHFFFAOYSA-N
MW407.51 g/mol
LogP5.55
Rot. Bonds11

About methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate

methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate (PubChem CID 23568566) has the molecular formula C25H29NO4 and a molecular weight of 407.51 g/mol. Its IUPAC name is methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate.

Molecular Properties

Compound Namemethyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate
PubChem CID23568566
Molecular FormulaC25H29NO4
Molecular Weight407.51 g/mol
Exact Mass407.21
IUPAC Namemethyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate
SMILESCOC(=O)CCCCCc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1
InChIInChI=1S/C25H29NO4/c1-19-23(26-25(30-19)21-12-6-4-7-13-21)16-17-29-22-14-9-11-20(18-22)10-5-3-8-15-24(27)28-2/h4,6-7,9,11-14,18H,3,5,8,10,15-17H2,1-2H3
InChIKeyROCGPHVYJBSQCN-UHFFFAOYSA-N
XLogP5.55
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.51
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[3-[3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propoxy]phenyl]methylsulfanyl]acetate
CID 58859472
5-methyl-2-phenyl-4-[2-(3-propylphenoxy)ethyl]-1,3-oxazole
CID 23402836
3-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanal
CID 58977434
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
methyl 2-[3-[2-(5-methyl-2-pyridin-3-yl-1,3-oxazol-4-yl)ethoxy]phenyl]acetate
CID 23552055
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-[(3-phenoxyphenyl)methyl]amino]acetic acid
CID 22087544
2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl-(3-propylphenoxy)carbonylamino]acetic acid
CID 22087545
2-methyl-2-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methylsulfanyl]propanoic acid
CID 22169941
2-[(4-methoxyphenyl)sulfanylcarbonyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 22087645
3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-2-[(5-phenylpentanoylamino)methyl]phenyl]propanoic acid
CID 58978995
N-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-5-thiophen-2-ylthiophene-2-carboxamide
CID 71083133

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate?
The IUPAC name of methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate (CID 23568566) is methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate.
What is the SMILES notation for methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate?
The canonical SMILES for methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate is COC(=O)CCCCCc1cccc(OCCc2nc(-c3ccccc3)oc2C)c1.
What is the InChIKey of methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate?
The InChIKey is ROCGPHVYJBSQCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO4/c1-19-23(26-25(30-19)21-12-6-4-7-13-21)16-17-29-22-14-9-11-20(18-22)10-5-3-8-15-24(27)28-2/h4,6-7,9,11-14,18H,3,5,8,10,15-17H2,1-2H3.
What are the key properties of methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate?
methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate has a molecular weight of 407.51 g/mol, XLogP of 5.55, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]hexanoate is sourced from PubChem (CID 23568566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).