trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol

C11H11FN2O2 — CID 164633039

IUPACtrans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
SMILESO[C@H]1CC[C@@H]1Nc1nc2cc(F)ccc2o1
InChIInChI=1S/C11H11FN2O2/c12-6-1-4-10-8(5-6)14-11(16-10)13-7-2-3-9(7)15/h1,4-5,7,9,15H,2-3H2,(H,13,14)/t7-,9-/m0/s1
InChIKeyNRKVKZKHIAGOPD-CBAPKCEASA-N
MW222.22 g/mol
LogP1.90
Rot. Bonds2

About trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol

trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol (PubChem CID 164633039) has the molecular formula C11H11FN2O2 and a molecular weight of 222.22 g/mol. Its IUPAC name is trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
PubChem CID164633039
Molecular FormulaC11H11FN2O2
Molecular Weight222.22 g/mol
Exact Mass222.08
IUPAC Nametrans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
SMILESO[C@H]1CC[C@@H]1Nc1nc2cc(F)ccc2o1
InChIInChI=1S/C11H11FN2O2/c12-6-1-4-10-8(5-6)14-11(16-10)13-7-2-3-9(7)15/h1,4-5,7,9,15H,2-3H2,(H,13,14)/t7-,9-/m0/s1
InChIKeyNRKVKZKHIAGOPD-CBAPKCEASA-N
XLogP1.90
TPSA58.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol 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

trans-(1R,2R)-2-[(4-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol
CID 126790788
[4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]-thiomorpholin-4-ylmethanone
CID 133314266
N-cyclopropyl-6-fluoro-1,3-benzoxazol-2-amine
CID 171996610
N-[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 133314148
2-N-(2,3-dimethylcyclopentyl)-1,3-benzoxazole-2,5-diamine
CID 79890745
(4R,5S)-4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1-methyl-5-pyridin-3-ylpyrrolidin-2-one
CID 128980637
N-[[4-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]methyl]butane-2-sulfonamide
CID 42601979
2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-2-methylpropanoic acid
CID 83842670
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133314245
trans-(1R,2R)-2-(4-fluoroanilino)cyclobutan-1-ol
CID 131701479
(2R)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-3-methylbutanoic acid
CID 122050836
[2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]-1,3-benzoxazol-4-yl]methanol
CID 176936372

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol?
The IUPAC name of trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol (CID 164633039) is trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol is O[C@H]1CC[C@@H]1Nc1nc2cc(F)ccc2o1.
What is the InChIKey of trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol?
The InChIKey is NRKVKZKHIAGOPD-CBAPKCEASA-N. The full InChI is InChI=1S/C11H11FN2O2/c12-6-1-4-10-8(5-6)14-11(16-10)13-7-2-3-9(7)15/h1,4-5,7,9,15H,2-3H2,(H,13,14)/t7-,9-/m0/s1.
What are the key properties of trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol?
trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol has a molecular weight of 222.22 g/mol, XLogP of 1.90, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-[(5-fluoro-1,3-benzoxazol-2-yl)amino]cyclobutan-1-ol is sourced from PubChem (CID 164633039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).