[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

C14H17FN2O2 — CID 124700230

IUPAC[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCOc3cc(F)ccc32)C1
InChIInChI=1S/C14H17FN2O2/c15-10-2-4-12-13(8-10)19-6-5-17(12)14(18)9-1-3-11(16)7-9/h2,4,8-9,11H,1,3,5-7,16H2/t9-,11+/m0/s1
InChIKeyUQAFLZWLWLWJIV-GXSJLCMTSA-N
MW264.30 g/mol
LogP1.68
Rot. Bonds1

About [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone

[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (PubChem CID 124700230) has the molecular formula C14H17FN2O2 and a molecular weight of 264.30 g/mol. Its IUPAC name is [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.

Molecular Properties

Compound Name[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
PubChem CID124700230
Molecular FormulaC14H17FN2O2
Molecular Weight264.30 g/mol
Exact Mass264.13
IUPAC Name[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
SMILESN[C@@H]1CC[C@H](C(=O)N2CCOc3cc(F)ccc32)C1
InChIInChI=1S/C14H17FN2O2/c15-10-2-4-12-13(8-10)19-6-5-17(12)14(18)9-1-3-11(16)7-9/h2,4,8-9,11H,1,3,5-7,16H2/t9-,11+/m0/s1
InChIKeyUQAFLZWLWLWJIV-GXSJLCMTSA-N
XLogP1.68
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone 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

(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-piperidin-4-ylmethanone
CID 83762011
(3-aminocyclopentyl)-(6-fluoro-4-methyl-2,3-dihydroquinoxalin-1-yl)methanone
CID 119899709
(7-amino-2,3-dihydro-1,4-benzoxazin-4-yl)-cyclopropylmethanone
CID 82285435
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[(2R)-oxolan-2-yl]methanone
CID 96500959
[(1S,3S)-3-aminocyclohexyl]-[(2R)-7-fluoro-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]methanone
CID 125134962
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[1-(4-methoxypyrimidin-2-yl)piperidin-4-yl]methanone
CID 126779738
[(1S,3S)-3-aminocyclopentyl]-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]methanone
CID 124686187
[(1R,3S)-3-aminocyclopentyl]-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methanone
CID 124515765
(3-aminocyclopentyl)-(2,7-dimethyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 119789024
(3-aminocyclopentyl)-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 119765893
cyclopentyl(2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 110712921
(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)-[4-(5-fluoro-2-pyridinyl)piperazin-1-yl]methanone
CID 138699318

Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The IUPAC name of [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone (CID 124700230) is [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone.
What is the SMILES notation for [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The canonical SMILES for [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is N[C@@H]1CC[C@H](C(=O)N2CCOc3cc(F)ccc32)C1.
What is the InChIKey of [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
The InChIKey is UQAFLZWLWLWJIV-GXSJLCMTSA-N. The full InChI is InChI=1S/C14H17FN2O2/c15-10-2-4-12-13(8-10)19-6-5-17(12)14(18)9-1-3-11(16)7-9/h2,4,8-9,11H,1,3,5-7,16H2/t9-,11+/m0/s1.
What are the key properties of [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone?
[(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone has a molecular weight of 264.30 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-aminocyclopentyl]-(7-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)methanone is sourced from PubChem (CID 124700230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).