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

C21H18N2O5 — CID 166155490

IUPAC2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1
InChIInChI=1S/C21H18N2O5/c24-19(25)12-27-17-3-1-2-15(10-17)20(26)23-16-8-6-13(7-9-16)18-11-22-21(28-18)14-4-5-14/h1-3,6-11,14H,4-5,12H2,(H,23,26)(H,24,25)
InChIKeyPTPKANJJKPPYBX-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.93
Rot. Bonds7

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

2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 166155490) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid
PubChem CID166155490
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESO=C(O)COc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1
InChIInChI=1S/C21H18N2O5/c24-19(25)12-27-17-3-1-2-15(10-17)20(26)23-16-8-6-13(7-9-16)18-11-22-21(28-18)14-4-5-14/h1-3,6-11,14H,4-5,12H2,(H,23,26)(H,24,25)
InChIKeyPTPKANJJKPPYBX-UHFFFAOYSA-N
XLogP3.93
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyridine-3-carboxamide
CID 33196301
2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155678
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155489
4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66610105
4-[5-[4-(phenylcarbamoylamino)phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylic acid
CID 66610211
2-[3-[[4-(4-methylpiperidine-1-carbonyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119182217
2-[3-[(2-cyclobutyl-3H-benzimidazol-5-yl)carbamoyl]phenoxy]acetic acid
CID 119183366
methyl 4-[5-[4-[(2-chlorobenzoyl)amino]phenyl]-1,3-oxazol-2-yl]cyclohexane-1-carboxylate
CID 66610382
N-[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]pyrrolidine-3-carboxamide
CID 119730167
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid (CID 166155490) is 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid is O=C(O)COc1cccc(C(=O)Nc2ccc(-c3cnc(C4CC4)o3)cc2)c1.
What is the InChIKey of 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is PTPKANJJKPPYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c24-19(25)12-27-17-3-1-2-15(10-17)20(26)23-16-8-6-13(7-9-16)18-11-22-21(28-18)14-4-5-14/h1-3,6-11,14H,4-5,12H2,(H,23,26)(H,24,25).
What are the key properties of 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid?
2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 378.38 g/mol, XLogP of 3.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 166155490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).