1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid

C15H15FN2O3 — CID 81157443

IUPAC1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2coc(-c3ccc(F)cc3)n2)CCC1
InChIInChI=1S/C15H15FN2O3/c16-11-4-2-10(3-5-11)13-18-12(9-21-13)8-17-15(14(19)20)6-1-7-15/h2-5,9,17H,1,6-8H2,(H,19,20)
InChIKeyZNVDUCRDYSQRAD-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.58
Rot. Bonds5

About 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid

1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid (PubChem CID 81157443) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid
PubChem CID81157443
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC Name1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid
SMILESO=C(O)C1(NCc2coc(-c3ccc(F)cc3)n2)CCC1
InChIInChI=1S/C15H15FN2O3/c16-11-4-2-10(3-5-11)13-18-12(9-21-13)8-17-15(14(19)20)6-1-7-15/h2-5,9,17H,1,6-8H2,(H,19,20)
InChIKeyZNVDUCRDYSQRAD-UHFFFAOYSA-N
XLogP2.58
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]cyclobutane-1-carboxylic acid
CID 81156261
1-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-methylmethanamine
CID 60726482
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-[(1-hydroxycyclopentyl)methyl]acetamide
CID 111332922
1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111104191
2-[1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]azetidin-3-yl]acetic acid
CID 64618913
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-methoxyethanamine
CID 60727772
(1R,3R)-1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]-7-oxaspiro[3.5]nonan-3-ol
CID 136585792
2-[cyclopropyl-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]amino]acetic acid
CID 60835152
3-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004642
2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119512816
(2S)-1-[2-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]acetyl]pyrrolidine-2-carboxylic acid
CID 119365486
1-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81166855

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid?
The IUPAC name of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid (CID 81157443) is 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid is O=C(O)C1(NCc2coc(-c3ccc(F)cc3)n2)CCC1.
What is the InChIKey of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid?
The InChIKey is ZNVDUCRDYSQRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c16-11-4-2-10(3-5-11)13-18-12(9-21-13)8-17-15(14(19)20)6-1-7-15/h2-5,9,17H,1,6-8H2,(H,19,20).
What are the key properties of 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid?
1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid has a molecular weight of 290.29 g/mol, XLogP of 2.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methylamino]cyclobutane-1-carboxylic acid is sourced from PubChem (CID 81157443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).