tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate

C13H15N3O4 — CID 168652006

IUPACtert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1noc2ccc(NC=O)cc12
InChIInChI=1S/C13H15N3O4/c1-13(2,3)19-12(18)15-11-9-6-8(14-7-17)4-5-10(9)20-16-11/h4-7H,1-3H3,(H,14,17)(H,15,16,18)
InChIKeyAYZMQHBHGZDCDF-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.74
Rot. Bonds3

About tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate

tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate (PubChem CID 168652006) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate
PubChem CID168652006
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Nametert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate
SMILESCC(C)(C)OC(=O)Nc1noc2ccc(NC=O)cc12
InChIInChI=1S/C13H15N3O4/c1-13(2,3)19-12(18)15-11-9-6-8(14-7-17)4-5-10(9)20-16-11/h4-7H,1-3H3,(H,14,17)(H,15,16,18)
InChIKeyAYZMQHBHGZDCDF-UHFFFAOYSA-N
XLogP2.74
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-[5-(1,2,2-tricyanoethenylamino)-1,2-benzoxazol-3-yl]carbamate
CID 168609915
tert-butyl N-(5-chloro-1,2-benzoxazol-3-yl)carbamate
CID 102538020
tert-butyl N-[5-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-1,2-benzoxazol-3-yl]carbamate
CID 169346051
tert-butyl N-(6-nitro-1,2-benzoxazol-3-yl)carbamate
CID 155691162
tert-butyl 4-formamidobenzoate
CID 22291289
tert-butyl N-(3-ethyl-5-formamidophenyl)carbamate
CID 144969625
tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate
CID 134190155
tert-butyl 2-fluoro-5-formamidobenzoate
CID 168651707
tert-butyl N-(2-methyl-1,3-benzoxazol-5-yl)carbamate
CID 65142575
tert-butyl N-[7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-benzoxazol-3-yl]carbamate
CID 131747412
tert-butyl N-[2-[(5-fluoro-1,2-benzoxazol-3-yl)oxy]ethyl]carbamate
CID 15453940
tert-butyl N-[2-formyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 545458

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate?
The IUPAC name of tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate (CID 168652006) is tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate is CC(C)(C)OC(=O)Nc1noc2ccc(NC=O)cc12.
What is the InChIKey of tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate?
The InChIKey is AYZMQHBHGZDCDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-13(2,3)19-12(18)15-11-9-6-8(14-7-17)4-5-10(9)20-16-11/h4-7H,1-3H3,(H,14,17)(H,15,16,18).
What are the key properties of tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate?
tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate has a molecular weight of 277.28 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-formamido-1,2-benzoxazol-3-yl)carbamate is sourced from PubChem (CID 168652006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).