2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid

C16H15FN2O4 — CID 119195424

IUPAC2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C16H15FN2O4/c17-11-3-1-10(2-4-11)16-18-12(9-23-16)7-14(20)19(8-15(21)22)13-5-6-13/h1-4,9,13H,5-8H2,(H,21,22)
InChIKeyRECAYXQEWXYOEQ-UHFFFAOYSA-N
MW318.30 g/mol
LogP2.10
Rot. Bonds6

About 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid

2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid (PubChem CID 119195424) has the molecular formula C16H15FN2O4 and a molecular weight of 318.30 g/mol. Its IUPAC name is 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
PubChem CID119195424
Molecular FormulaC16H15FN2O4
Molecular Weight318.30 g/mol
Exact Mass318.10
IUPAC Name2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
SMILESO=C(O)CN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C16H15FN2O4/c17-11-3-1-10(2-4-11)16-18-12(9-23-16)7-14(20)19(8-15(21)22)13-5-6-13/h1-4,9,13H,5-8H2,(H,21,22)
InChIKeyRECAYXQEWXYOEQ-UHFFFAOYSA-N
XLogP2.10
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
CID 60835152
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552872
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylacetamide
CID 109400397
1-[(3R)-3-aminopyrrolidin-1-yl]-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 119411851
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
N-(4-aminocyclohexyl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetamide;dihydrochloride
CID 119477271
2-[[2-[2-(4-chlorophenyl)-1,3-oxazol-4-yl]acetyl]-ethylamino]acetic acid
CID 119206351
(2R)-4-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]morpholine-2-carboxylic acid
CID 124704000
2-[cyclopropyl-[2-(4-fluorophenoxy)acetyl]amino]acetic acid
CID 54945921
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
1-(4-amino-3,3-dimethylpiperidin-1-yl)-2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethanone
CID 120818074

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid (CID 119195424) is 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid is O=C(O)CN(C(=O)Cc1coc(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid?
The InChIKey is RECAYXQEWXYOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN2O4/c17-11-3-1-10(2-4-11)16-18-12(9-23-16)7-14(20)19(8-15(21)22)13-5-6-13/h1-4,9,13H,5-8H2,(H,21,22).
What are the key properties of 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid?
2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid has a molecular weight of 318.30 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid is sourced from PubChem (CID 119195424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).