N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide

C14H15N3O2 — CID 91778285

IUPACN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1n[nH]c2ccccc12
InChIInChI=1S/C14H15N3O2/c18-14(15-11-7-12-8(11)5-6-19-12)13-9-3-1-2-4-10(9)16-17-13/h1-4,8,11-12H,5-7H2,(H,15,18)(H,16,17)/t8-,11+,12+/m1/s1
InChIKeyQHSYHELADIYRKG-ZHAHWJHGSA-N
MW257.29 g/mol
LogP1.47
Rot. Bonds2

About N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide

N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide (PubChem CID 91778285) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide
PubChem CID91778285
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC NameN-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide
SMILESO=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1n[nH]c2ccccc12
InChIInChI=1S/C14H15N3O2/c18-14(15-11-7-12-8(11)5-6-19-12)13-9-3-1-2-4-10(9)16-17-13/h1-4,8,11-12H,5-7H2,(H,15,18)(H,16,17)/t8-,11+,12+/m1/s1
InChIKeyQHSYHELADIYRKG-ZHAHWJHGSA-N
XLogP1.47
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide (CID 91778285) is N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide is O=C(N[C@H]1C[C@@H]2OCC[C@H]12)c1n[nH]c2ccccc12.
What is the InChIKey of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide?
The InChIKey is QHSYHELADIYRKG-ZHAHWJHGSA-N. The full InChI is InChI=1S/C14H15N3O2/c18-14(15-11-7-12-8(11)5-6-19-12)13-9-3-1-2-4-10(9)16-17-13/h1-4,8,11-12H,5-7H2,(H,15,18)(H,16,17)/t8-,11+,12+/m1/s1.
What are the key properties of N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide?
N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide has a molecular weight of 257.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,5R,6S)-2-oxabicyclo[3.2.0]heptan-6-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 91778285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).