3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid

C20H25FN2O5 — CID 72953613

IUPAC3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
SMILESCCC1(C(=O)NC(CC(=O)O)C(=O)CF)CC(c2ccccc2C(C)C)=NO1
InChIInChI=1S/C20H25FN2O5/c1-4-20(19(27)22-15(9-18(25)26)17(24)11-21)10-16(23-28-20)14-8-6-5-7-13(14)12(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H,22,27)(H,25,26)
InChIKeyKWJDGFWQDHDSKQ-UHFFFAOYSA-N
MW392.43 g/mol
LogP2.58
Rot. Bonds9

About 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid

3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid (PubChem CID 72953613) has the molecular formula C20H25FN2O5 and a molecular weight of 392.43 g/mol. Its IUPAC name is 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid.

Molecular Properties

Compound Name3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
PubChem CID72953613
Molecular FormulaC20H25FN2O5
Molecular Weight392.43 g/mol
Exact Mass392.17
IUPAC Name3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid
SMILESCCC1(C(=O)NC(CC(=O)O)C(=O)CF)CC(c2ccccc2C(C)C)=NO1
InChIInChI=1S/C20H25FN2O5/c1-4-20(19(27)22-15(9-18(25)26)17(24)11-21)10-16(23-28-20)14-8-6-5-7-13(14)12(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H,22,27)(H,25,26)
InChIKeyKWJDGFWQDHDSKQ-UHFFFAOYSA-N
XLogP2.58
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid?
The IUPAC name of 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid (CID 72953613) is 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid.
What is the SMILES notation for 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid?
The canonical SMILES for 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid is CCC1(C(=O)NC(CC(=O)O)C(=O)CF)CC(c2ccccc2C(C)C)=NO1.
What is the InChIKey of 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid?
The InChIKey is KWJDGFWQDHDSKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5/c1-4-20(19(27)22-15(9-18(25)26)17(24)11-21)10-16(23-28-20)14-8-6-5-7-13(14)12(2)3/h5-8,12,15H,4,9-11H2,1-3H3,(H,22,27)(H,25,26).
What are the key properties of 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid?
3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid has a molecular weight of 392.43 g/mol, XLogP of 2.58, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-ethyl-3-(2-propan-2-ylphenyl)-4H-1,2-oxazole-5-carbonyl]amino]-5-fluoro-4-oxopentanoic acid is sourced from PubChem (CID 72953613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).