2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid

C15H17NO4 — CID 82219979

IUPAC2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid
SMILESCc1oc(CCCOc2ccccc2)nc1CC(=O)O
InChIInChI=1S/C15H17NO4/c1-11-13(10-15(17)18)16-14(20-11)8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,17,18)
InChIKeyJCKQTFSLDLQYTB-UHFFFAOYSA-N
MW275.30 g/mol
LogP2.62
Rot. Bonds7

About 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid

2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid (PubChem CID 82219979) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid
PubChem CID82219979
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid
SMILESCc1oc(CCCOc2ccccc2)nc1CC(=O)O
InChIInChI=1S/C15H17NO4/c1-11-13(10-15(17)18)16-14(20-11)8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,17,18)
InChIKeyJCKQTFSLDLQYTB-UHFFFAOYSA-N
XLogP2.62
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-butyl-5-methyl-1,3-oxazol-4-yl)acetic acid
CID 82219971
2-[2-[(2,3-dimethylphenoxy)methyl]-5-methyl-1,3-oxazol-4-yl]acetic acid
CID 82219984
2-(3-phenoxypropyl)-1,3-benzoxazole-5-carboxylic acid
CID 83970969
3-(4-methylphenyl)-5-(3-phenoxypropyl)-1,2,4-oxadiazole
CID 2995458
5-methyl-2-pentan-3-yl-4-(2-phenoxyethyl)-1,3-oxazole
CID 141088768
1-(5-methyl-1,3-oxazol-2-yl)-5-phenoxypentan-2-one
CID 158824596
2-[5-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-2-phenyltriazol-4-yl]acetic acid
CID 44565059
2-[2-(2-bromophenyl)-5-methyl-1,3-oxazol-4-yl]acetic acid
CID 82219974
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)-N-(2-phenoxyethyl)acetamide
CID 32934772
2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]-N-(2-phenoxyethoxy)acetamide
CID 110354976
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438

Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid (CID 82219979) is 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid is Cc1oc(CCCOc2ccccc2)nc1CC(=O)O.
What is the InChIKey of 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid?
The InChIKey is JCKQTFSLDLQYTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-11-13(10-15(17)18)16-14(20-11)8-5-9-19-12-6-3-2-4-7-12/h2-4,6-7H,5,8-10H2,1H3,(H,17,18).
What are the key properties of 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid?
2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid has a molecular weight of 275.30 g/mol, XLogP of 2.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(3-phenoxypropyl)-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 82219979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).