tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate

C14H19N3O4 — CID 155113636

IUPACtert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate
SMILESCONc1ccc2c(N(C)C(=O)OC(C)(C)C)noc2c1
InChIInChI=1S/C14H19N3O4/c1-14(2,3)20-13(18)17(4)12-10-7-6-9(15-19-5)8-11(10)21-16-12/h6-8,15H,1-5H3
InChIKeyHTGRZALKWLIRCM-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.17
Rot. Bonds3

About tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate

tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate (PubChem CID 155113636) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate
PubChem CID155113636
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Nametert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate
SMILESCONc1ccc2c(N(C)C(=O)OC(C)(C)C)noc2c1
InChIInChI=1S/C14H19N3O4/c1-14(2,3)20-13(18)17(4)12-10-7-6-9(15-19-5)8-11(10)21-16-12/h6-8,15H,1-5H3
InChIKeyHTGRZALKWLIRCM-UHFFFAOYSA-N
XLogP3.17
TPSA76.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(6-amino-1,2-benzoxazol-3-yl)-N-methylcarbamate
CID 155113166
tert-butyl N-[5-chloro-6-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)-1,2-benzoxazol-3-yl]-N-methylcarbamate
CID 123682263
tert-butyl N-(6-bromo-1H-indazol-3-yl)-N-methylcarbamate
CID 91066797
tert-butyl N-(5-tert-butyl-4-methyl-1,2-oxazol-3-yl)-N-methylcarbamate
CID 144743274
tert-butyl N-(5-acetylpyrimidin-2-yl)-N-methylcarbamate
CID 140897159
tert-butyl 3-[[3-[2-[methoxy(methyl)amino]-2-oxoethyl]-1,2-benzoxazol-6-yl]amino]pyrazolo[4,3-b]pyridine-1-carboxylate
CID 134190138
tert-butyl N-[3-(bromomethyl)-2-pyridinyl]-N-methylcarbamate
CID 141274850
tert-butyl N-[6-[(3,4-dichlorophenoxy)methyl]-5-methyl-1,2-benzoxazol-3-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 90428302
tert-butyl N-(6-amino-3-methoxy-2-pyridinyl)-N-methylcarbamate
CID 90054827
tert-butyl N-(4-chloro-3-fluoro-2-pyridinyl)-N-methylcarbamate
CID 152843772
tert-butyl N-[3-(1-fluoropentyl)-1,2-benzoxazol-6-yl]carbamate
CID 134190155
tert-butyl N-(6-fluoro-9H-pyrido[2,3-b]indol-8-yl)-N-methylcarbamate
CID 140943973

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate?
The IUPAC name of tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate (CID 155113636) is tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate?
The canonical SMILES for tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate is CONc1ccc2c(N(C)C(=O)OC(C)(C)C)noc2c1.
What is the InChIKey of tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate?
The InChIKey is HTGRZALKWLIRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(2,3)20-13(18)17(4)12-10-7-6-9(15-19-5)8-11(10)21-16-12/h6-8,15H,1-5H3.
What are the key properties of tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate?
tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate has a molecular weight of 293.32 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[6-(methoxyamino)-1,2-benzoxazol-3-yl]-N-methylcarbamate is sourced from PubChem (CID 155113636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).