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

C15H15FN2O3 — CID 60835152

IUPAC2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1coc(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C15H15FN2O3/c16-11-3-1-10(2-4-11)15-17-12(9-21-15)7-18(8-14(19)20)13-5-6-13/h1-4,9,13H,5-8H2,(H,19,20)
InChIKeyZPFFCWGPNZNQQC-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.53
Rot. Bonds6

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

2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid (PubChem CID 60835152) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid.

Molecular Properties

Compound Name2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
PubChem CID60835152
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
SMILESO=C(O)CN(Cc1coc(-c2ccc(F)cc2)n1)C1CC1
InChIInChI=1S/C15H15FN2O3/c16-11-3-1-10(2-4-11)15-17-12(9-21-15)7-18(8-14(19)20)13-5-6-13/h1-4,9,13H,5-8H2,(H,19,20)
InChIKeyZPFFCWGPNZNQQC-UHFFFAOYSA-N
XLogP2.53
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[cyclopropyl-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]amino]acetic acid
CID 119195424
2-[cyclopentyl-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]amino]acetamide
CID 56813192
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylazetidin-3-amine
CID 66188313
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
(3R)-N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1,1-dioxothiolan-3-amine
CID 95276186
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-(2-hydroxyethyl)amino]ethanol
CID 62021325
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methyl-N-pyrrolidin-3-ylacetamide
CID 119552872
N-cyclopropyl-N-[5-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]propanamide
CID 24668379
2-[[2-(4-chlorophenyl)-1,3-oxazol-4-yl]methyl-cyclobutylamino]ethanol
CID 102676563
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-1-piperazin-1-ylethanone;hydrochloride
CID 119915159
2-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl-methylamino]-N-(4-methylphenyl)acetamide
CID 55544759
2-[(2-amino-2-oxoethyl)-[(2-phenyl-1,3-oxazol-4-yl)methyl]amino]acetic acid
CID 107440765

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid?
The IUPAC name of 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid (CID 60835152) is 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid.
What is the SMILES notation for 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid?
The canonical SMILES for 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid is O=C(O)CN(Cc1coc(-c2ccc(F)cc2)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid?
The InChIKey is ZPFFCWGPNZNQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-11-3-1-10(2-4-11)15-17-12(9-21-15)7-18(8-14(19)20)13-5-6-13/h1-4,9,13H,5-8H2,(H,19,20).
What are the key properties of 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid?
2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid has a molecular weight of 290.29 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid is sourced from PubChem (CID 60835152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).