tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate

C15H17FN2O4 — CID 90063515

IUPACtert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(F)c2c(=O)o1
InChIInChI=1S/C15H17FN2O4/c1-8(17-14(20)22-15(2,3)4)12-18-10-7-5-6-9(16)11(10)13(19)21-12/h5-8H,1-4H3,(H,17,20)/t8-/m0/s1
InChIKeyLFONGBSRCFGKBJ-QMMMGPOBSA-N
MW308.31 g/mol
LogP2.91
Rot. Bonds2

About tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate (PubChem CID 90063515) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate
PubChem CID90063515
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Nametert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(F)c2c(=O)o1
InChIInChI=1S/C15H17FN2O4/c1-8(17-14(20)22-15(2,3)4)12-18-10-7-5-6-9(16)11(10)13(19)21-12/h5-8H,1-4H3,(H,17,20)/t8-/m0/s1
InChIKeyLFONGBSRCFGKBJ-QMMMGPOBSA-N
XLogP2.91
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate 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

tert-butyl N-[1-[5-chloro-4-(3,5-difluorophenyl)imino-3,1-benzoxazin-2-yl]ethyl]carbamate
CID 59841042
4-ethyl-5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
CID 89466453
5-fluoro-2-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]quinoline-3-carboxylic acid
CID 67124246
tert-butyl N-[1-(2-bromo-6-fluorophenyl)ethyl]carbamate
CID 155887563
tert-butyl N-[(1S)-1-(2-bromo-6-fluorophenyl)ethyl]carbamate
CID 162342858
tert-butyl N-[1-(5-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]carbamate
CID 123348346
tert-butyl N-[(1S)-1-[3-(1,3-dihydroisoindol-2-yl)-5-fluoro-4-oxoquinazolin-2-yl]propyl]carbamate
CID 141459076
tert-butyl N-[1-(5,8-difluoro-4-oxo-3-phenylquinazolin-2-yl)ethyl]carbamate
CID 90232844
tert-butyl N-[1-[5-chloro-3-(3-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90235358
tert-butyl N-[1-[5-chloro-3-(3-chloro-5-fluorophenyl)-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90236279
tert-butyl N-[(1S)-1-deuterio-1-(5-fluoro-4-oxo-3-phenylquinazolin-2-yl)propyl]carbamate
CID 140814473
tert-butyl N-[(1S)-1-[3-(3,5-difluorophenyl)-8-fluoro-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 90235481

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate (CID 90063515) is tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1nc2cccc(F)c2c(=O)o1.
What is the InChIKey of tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate?
The InChIKey is LFONGBSRCFGKBJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-8(17-14(20)22-15(2,3)4)12-18-10-7-5-6-9(16)11(10)13(19)21-12/h5-8H,1-4H3,(H,17,20)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate has a molecular weight of 308.31 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(5-fluoro-4-oxo-3,1-benzoxazin-2-yl)ethyl]carbamate is sourced from PubChem (CID 90063515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).