1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate

C15H18FN3O5 — CID 138644315

IUPAC1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)c(NCOF)nn2C(=O)OC(C)(C)C
InChIInChI=1S/C15H18FN3O5/c1-15(2,3)24-14(21)19-11-6-5-9(13(20)22-4)7-10(11)12(18-19)17-8-23-16/h5-7H,8H2,1-4H3,(H,17,18)
InChIKeyRYVHQLLEMUNXPJ-UHFFFAOYSA-N
MW339.32 g/mol
LogP2.88
Rot. Bonds4

About 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate

1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate (PubChem CID 138644315) has the molecular formula C15H18FN3O5 and a molecular weight of 339.32 g/mol. Its IUPAC name is 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate.

Molecular Properties

Compound Name1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate
PubChem CID138644315
Molecular FormulaC15H18FN3O5
Molecular Weight339.32 g/mol
Exact Mass339.12
IUPAC Name1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate
SMILESCOC(=O)c1ccc2c(c1)c(NCOF)nn2C(=O)OC(C)(C)C
InChIInChI=1S/C15H18FN3O5/c1-15(2,3)24-14(21)19-11-6-5-9(13(20)22-4)7-10(11)12(18-19)17-8-23-16/h5-7H,8H2,1-4H3,(H,17,18)
InChIKeyRYVHQLLEMUNXPJ-UHFFFAOYSA-N
XLogP2.88
TPSA91.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.32
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-O-tert-butyl 5-O-methyl 3-[(4-fluorobenzoyl)amino]indazole-1,5-dicarboxylate
CID 122584383
1-O-tert-butyl 5-O-methyl benzotriazole-1,5-dicarboxylate;1-O-tert-butyl 6-O-methyl benzotriazole-1,6-dicarboxylate
CID 162068541
methyl 3-iodo-1-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]indazole-5-carboxylate
CID 118322422
tert-butyl 3-(methylamino)indazole-1-carboxylate
CID 175803932
1-O-tert-butyl 5-O-methyl 3-(2-aminoethyl)indole-1,5-dicarboxylate;hydrochloride
CID 18526246
1-O-tert-butyl 2-O-ethyl 5-O-methyl 3-aminoindole-1,2,5-tricarboxylate
CID 171805338
methyl 4-[[1-[(2-methylpropan-2-yl)oxycarbonyl]indazol-3-yl]methyl]-3-oxo-1,4-benzoxazine-6-carboxylate
CID 126645970
ditert-butyl 5-bromoindazole-1,3-dicarboxylate
CID 68993188
5-O-tert-butyl 7-O-methyl 4-oxoimidazo[1,5-a]quinoxaline-5,7-dicarboxylate
CID 70246004
tert-butyl 5-(3,5-dicyano-2,6-dimethyl-3,4-dihydropyridin-4-yl)-3-(2-hydroxyethylamino)indazole-1-carboxylate
CID 91034471
1-O-tert-butyl 6-O-methyl 3-iodoindole-1,6-dicarboxylate
CID 7127827
tert-butyl 3-(2,2,2-trifluoro-1-hydroxyethyl)indazole-1-carboxylate
CID 151462343

Frequently Asked Questions

What is the IUPAC name of 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate?
The IUPAC name of 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate (CID 138644315) is 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate.
What is the SMILES notation for 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate?
The canonical SMILES for 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate is COC(=O)c1ccc2c(c1)c(NCOF)nn2C(=O)OC(C)(C)C.
What is the InChIKey of 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate?
The InChIKey is RYVHQLLEMUNXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O5/c1-15(2,3)24-14(21)19-11-6-5-9(13(20)22-4)7-10(11)12(18-19)17-8-23-16/h5-7H,8H2,1-4H3,(H,17,18).
What are the key properties of 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate?
1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate has a molecular weight of 339.32 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-O-tert-butyl 5-O-methyl 3-(fluorooxymethylamino)indazole-1,5-dicarboxylate is sourced from PubChem (CID 138644315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).