2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid

C20H17FN2O5 — CID 7693810

IUPAC2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid
SMILESCC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)O)CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C20H17FN2O5/c1-12(24)13-4-8-16(9-5-13)22-19(27)20(11-18(25)26)10-17(23-28-20)14-2-6-15(21)7-3-14/h2-9H,10-11H2,1H3,(H,22,27)(H,25,26)/t20-/m0/s1
InChIKeyLZYYFCJMQVOODB-FQEVSTJZSA-N
MW384.36 g/mol
LogP3.00
Rot. Bonds6

About 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid

2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid (PubChem CID 7693810) has the molecular formula C20H17FN2O5 and a molecular weight of 384.36 g/mol. Its IUPAC name is 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid
PubChem CID7693810
Molecular FormulaC20H17FN2O5
Molecular Weight384.36 g/mol
Exact Mass384.11
IUPAC Name2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid
SMILESCC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)O)CC(c3ccc(F)cc3)=NO2)cc1
InChIInChI=1S/C20H17FN2O5/c1-12(24)13-4-8-16(9-5-13)22-19(27)20(11-18(25)26)10-17(23-28-20)14-2-6-15(21)7-3-14/h2-9H,10-11H2,1H3,(H,22,27)(H,25,26)/t20-/m0/s1
InChIKeyLZYYFCJMQVOODB-FQEVSTJZSA-N
XLogP3.00
TPSA105.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid?
The IUPAC name of 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid (CID 7693810) is 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid.
What is the SMILES notation for 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid?
The canonical SMILES for 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid is CC(=O)c1ccc(NC(=O)[C@@]2(CC(=O)O)CC(c3ccc(F)cc3)=NO2)cc1.
What is the InChIKey of 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid?
The InChIKey is LZYYFCJMQVOODB-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H17FN2O5/c1-12(24)13-4-8-16(9-5-13)22-19(27)20(11-18(25)26)10-17(23-28-20)14-2-6-15(21)7-3-14/h2-9H,10-11H2,1H3,(H,22,27)(H,25,26)/t20-/m0/s1.
What are the key properties of 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid?
2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid has a molecular weight of 384.36 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5S)-5-[(4-acetylphenyl)carbamoyl]-3-(4-fluorophenyl)-4H-1,2-oxazol-5-yl]acetic acid is sourced from PubChem (CID 7693810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).