tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate

C16H22FN3O3 — CID 66665607

IUPACtert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=N[C@](CF)(c2cccc(N)c2)COC1
InChIInChI=1S/C16H22FN3O3/c1-15(2,3)23-14(21)19-13-8-22-10-16(9-17,20-13)11-5-4-6-12(18)7-11/h4-7H,8-10,18H2,1-3H3,(H,19,20,21)/t16-/m0/s1
InChIKeyFAWNTDPOFTYLBU-INIZCTEOSA-N
MW323.37 g/mol
LogP2.39
Rot. Bonds2

About tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate

tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate (PubChem CID 66665607) has the molecular formula C16H22FN3O3 and a molecular weight of 323.37 g/mol. Its IUPAC name is tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate
PubChem CID66665607
Molecular FormulaC16H22FN3O3
Molecular Weight323.37 g/mol
Exact Mass323.16
IUPAC Nametert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)NC1=N[C@](CF)(c2cccc(N)c2)COC1
InChIInChI=1S/C16H22FN3O3/c1-15(2,3)23-14(21)19-13-8-22-10-16(9-17,20-13)11-5-4-6-12(18)7-11/h4-7H,8-10,18H2,1-3H3,(H,19,20,21)/t16-/m0/s1
InChIKeyFAWNTDPOFTYLBU-INIZCTEOSA-N
XLogP2.39
TPSA85.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate (CID 66665607) is tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate is CC(C)(C)OC(=O)NC1=N[C@](CF)(c2cccc(N)c2)COC1.
What is the InChIKey of tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate?
The InChIKey is FAWNTDPOFTYLBU-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22FN3O3/c1-15(2,3)23-14(21)19-13-8-22-10-16(9-17,20-13)11-5-4-6-12(18)7-11/h4-7H,8-10,18H2,1-3H3,(H,19,20,21)/t16-/m0/s1.
What are the key properties of tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate?
tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate has a molecular weight of 323.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(5R)-5-(3-aminophenyl)-5-(fluoromethyl)-2,6-dihydro-1,4-oxazin-3-yl]carbamate is sourced from PubChem (CID 66665607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).