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

C21H20N2O5 — CID 166155678

IUPAC2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCC(C)c1cnc(-c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)o1
InChIInChI=1S/C21H20N2O5/c1-13(2)18-11-22-21(28-18)14-6-8-16(9-7-14)23-20(26)15-4-3-5-17(10-15)27-12-19(24)25/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHNQQTFUAZJCQGQ-UHFFFAOYSA-N
MW380.40 g/mol
LogP4.18
Rot. Bonds7

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

2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid (PubChem CID 166155678) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid
PubChem CID166155678
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC Name2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid
SMILESCC(C)c1cnc(-c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)o1
InChIInChI=1S/C21H20N2O5/c1-13(2)18-11-22-21(28-18)14-6-8-16(9-7-14)23-20(26)15-4-3-5-17(10-15)27-12-19(24)25/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,25)
InChIKeyHNQQTFUAZJCQGQ-UHFFFAOYSA-N
XLogP4.18
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155489
2-[3-[[4-(2-cyclopropyl-1,3-oxazol-5-yl)phenyl]carbamoyl]phenoxy]acetic acid
CID 166155490
2-[3-[(4-fluorophenyl)carbamoyl]phenoxy]acetic acid
CID 28762936
2-[3-[[4-[[4-(2-methylpropyl)phenyl]methoxy]phenyl]carbamoyl]phenoxy]acetic acid
CID 139610039
2-[3-[[4-(2-methylbutan-2-ylcarbamoyl)phenyl]carbamoyl]phenoxy]acetic acid
CID 119181827
4-fluoro-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]-3-(propan-2-ylsulfamoyl)benzamide
CID 86963597
3-ethoxy-N-[2-(4-propan-2-ylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 17127526
3-(3-methylbutoxy)-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4981775
3-(3-methylbutoxy)-N-(4-phenoxyphenyl)benzamide
CID 4981650
3-(2-methylprop-2-enoxy)-N-phenylbenzamide
CID 17133045
2-(3-methoxyphenyl)-N-[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]cyclopropane-1-carboxamide
CID 86963502
2-(4-benzamidophenoxy)acetic acid
CID 3830392

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid (CID 166155678) is 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid is CC(C)c1cnc(-c2ccc(NC(=O)c3cccc(OCC(=O)O)c3)cc2)o1.
What is the InChIKey of 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid?
The InChIKey is HNQQTFUAZJCQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-13(2)18-11-22-21(28-18)14-6-8-16(9-7-14)23-20(26)15-4-3-5-17(10-15)27-12-19(24)25/h3-11,13H,12H2,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid?
2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid has a molecular weight of 380.40 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[4-(5-propan-2-yl-1,3-oxazol-2-yl)phenyl]carbamoyl]phenoxy]acetic acid is sourced from PubChem (CID 166155678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).