2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid

C18H15N3O5 — CID 166155489

IUPAC2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCc1nc(-c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)no1
InChIInChI=1S/C18H15N3O5/c1-11-19-17(21-26-11)12-5-7-14(8-6-12)20-18(24)13-3-2-4-15(9-13)25-10-16(22)23/h2-9H,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyCKQBZYUYOGRWBX-UHFFFAOYSA-N
MW353.33 g/mol
LogP2.76
Rot. Bonds6

About 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid

2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 166155489) has the molecular formula C18H15N3O5 and a molecular weight of 353.33 g/mol. Its IUPAC name is 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
PubChem CID166155489
Molecular FormulaC18H15N3O5
Molecular Weight353.33 g/mol
Exact Mass353.10
IUPAC Name2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCc1nc(-c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)no1
InChIInChI=1S/C18H15N3O5/c1-11-19-17(21-26-11)12-5-7-14(8-6-12)20-18(24)13-3-2-4-15(9-13)25-10-16(22)23/h2-9H,10H2,1H3,(H,20,24)(H,22,23)
InChIKeyCKQBZYUYOGRWBX-UHFFFAOYSA-N
XLogP2.76
TPSA114.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid with MolForge

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Related Compounds

2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155678
N-(3-acetylphenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 51208496
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-(4-propan-2-ylphenyl)benzamide
CID 50778928
N-(3-acetamidophenyl)-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 17443328
2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155490
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827
N-(4-cyanophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46292631
N-[4-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]phenyl]acetamide
CID 890855
N-methyl-2-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 47119130
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
2-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-prop-2-enylacetamide
CID 50755671

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid (CID 166155489) is 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid is Cc1nc(-c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)no1.
What is the InChIKey of 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is CKQBZYUYOGRWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5/c1-11-19-17(21-26-11)12-5-7-14(8-6-12)20-18(24)13-3-2-4-15(9-13)25-10-16(22)23/h2-9H,10H2,1H3,(H,20,24)(H,22,23).
What are the key properties of 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid?
2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 353.33 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 166155489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).