methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate

C16H19NO4 — CID 59167756

IUPACmethyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate
SMILESCOC(=O)CCCCc1coc(-c2ccccc2OC)n1
InChIInChI=1S/C16H19NO4/c1-19-14-9-5-4-8-13(14)16-17-12(11-21-16)7-3-6-10-15(18)20-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3
InChIKeyMEPGPWOEYRMFBT-UHFFFAOYSA-N
MW289.33 g/mol
LogP3.24
Rot. Bonds7

About methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate

methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate (PubChem CID 59167756) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate.

Molecular Properties

Compound Namemethyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate
PubChem CID59167756
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Namemethyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate
SMILESCOC(=O)CCCCc1coc(-c2ccccc2OC)n1
InChIInChI=1S/C16H19NO4/c1-19-14-9-5-4-8-13(14)16-17-12(11-21-16)7-3-6-10-15(18)20-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3
InChIKeyMEPGPWOEYRMFBT-UHFFFAOYSA-N
XLogP3.24
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.24
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 4-[2-(2-methoxyphenyl)-4-methyl-1,3-oxazol-5-yl]butanoate
CID 59167805
N-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]propan-2-amine
CID 65288045
methyl 6-(3-methyl-1,4-dioxonaphthalen-2-yl)hexanoate
CID 10979501
2-(2,3-dimethoxyphenyl)-4-ethyl-1,3-oxazole
CID 144909946
methyl 2-methoxy-6-(12-methoxy-12-oxododecyl)benzoate
CID 595445
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-(2-methoxyphenyl)urea
CID 51133290
2-[[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-4,4-dimethyl-1,1-dioxo-1,2-thiazolidin-3-one
CID 167883880
2-(2-methoxyphenyl)-5-[(2-phenyl-1,3-oxazol-4-yl)methylsulfanyl]-1,3,4-oxadiazole
CID 42988977
methyl 5-(1,8-naphthyridin-2-yl)pentanoate
CID 11447926
5-(3-methoxyfuran-2-yl)pentanoic acid;methyl 5-(3-methoxyfuran-2-yl)pentanoate
CID 161246757
1-[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 65288753
N-[[2-(2-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-4-methoxy-N-methylaniline
CID 56672823

Frequently Asked Questions

What is the IUPAC name of methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate?
The IUPAC name of methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate (CID 59167756) is methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate.
What is the SMILES notation for methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate?
The canonical SMILES for methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate is COC(=O)CCCCc1coc(-c2ccccc2OC)n1.
What is the InChIKey of methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate?
The InChIKey is MEPGPWOEYRMFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-19-14-9-5-4-8-13(14)16-17-12(11-21-16)7-3-6-10-15(18)20-2/h4-5,8-9,11H,3,6-7,10H2,1-2H3.
What are the key properties of methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate?
methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate has a molecular weight of 289.33 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[2-(2-methoxyphenyl)-1,3-oxazol-4-yl]pentanoate is sourced from PubChem (CID 59167756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).