(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid

C12H12FN3O3 — CID 122458252

IUPAC(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid
SMILESO=C(O)NCC1OCCn2nc3ccc(F)cc3c21
InChIInChI=1S/C12H12FN3O3/c13-7-1-2-9-8(5-7)11-10(6-14-12(17)18)19-4-3-16(11)15-9/h1-2,5,10,14H,3-4,6H2,(H,17,18)
InChIKeyIQCVQZYDLKGDMF-UHFFFAOYSA-N
MW265.24 g/mol
LogP1.51
Rot. Bonds2

About (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid

(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid (PubChem CID 122458252) has the molecular formula C12H12FN3O3 and a molecular weight of 265.24 g/mol. Its IUPAC name is (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid.

Molecular Properties

Compound Name(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid
PubChem CID122458252
Molecular FormulaC12H12FN3O3
Molecular Weight265.24 g/mol
Exact Mass265.09
IUPAC Name(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid
SMILESO=C(O)NCC1OCCn2nc3ccc(F)cc3c21
InChIInChI=1S/C12H12FN3O3/c13-7-1-2-9-8(5-7)11-10(6-14-12(17)18)19-4-3-16(11)15-9/h1-2,5,10,14H,3-4,6H2,(H,17,18)
InChIKeyIQCVQZYDLKGDMF-UHFFFAOYSA-N
XLogP1.51
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.24
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid?
The IUPAC name of (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid (CID 122458252) is (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid.
What is the SMILES notation for (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid?
The canonical SMILES for (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid is O=C(O)NCC1OCCn2nc3ccc(F)cc3c21.
What is the InChIKey of (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid?
The InChIKey is IQCVQZYDLKGDMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FN3O3/c13-7-1-2-9-8(5-7)11-10(6-14-12(17)18)19-4-3-16(11)15-9/h1-2,5,10,14H,3-4,6H2,(H,17,18).
What are the key properties of (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid?
(9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid has a molecular weight of 265.24 g/mol, XLogP of 1.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (9-fluoro-3,4-dihydro-1H-[1,4]oxazino[4,3-b]indazol-1-yl)methylcarbamic acid is sourced from PubChem (CID 122458252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).