5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide

C17H16N4O2 — CID 126450711

IUPAC5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1CCc2cn[nH]c2C1)c1cnoc1-c1ccccc1
InChIInChI=1S/C17H16N4O2/c22-17(20-13-7-6-12-9-18-21-15(12)8-13)14-10-19-23-16(14)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2,(H,18,21)(H,20,22)/t13-/m1/s1
InChIKeyNVKSXWKUPFGAJZ-CYBMUJFWSA-N
MW308.34 g/mol
LogP2.35
Rot. Bonds3

About 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide

5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide (PubChem CID 126450711) has the molecular formula C17H16N4O2 and a molecular weight of 308.34 g/mol. Its IUPAC name is 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide
PubChem CID126450711
Molecular FormulaC17H16N4O2
Molecular Weight308.34 g/mol
Exact Mass308.13
IUPAC Name5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide
SMILESO=C(N[C@@H]1CCc2cn[nH]c2C1)c1cnoc1-c1ccccc1
InChIInChI=1S/C17H16N4O2/c22-17(20-13-7-6-12-9-18-21-15(12)8-13)14-10-19-23-16(14)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2,(H,18,21)(H,20,22)/t13-/m1/s1
InChIKeyNVKSXWKUPFGAJZ-CYBMUJFWSA-N
XLogP2.35
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide (CID 126450711) is 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide is O=C(N[C@@H]1CCc2cn[nH]c2C1)c1cnoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is NVKSXWKUPFGAJZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H16N4O2/c22-17(20-13-7-6-12-9-18-21-15(12)8-13)14-10-19-23-16(14)11-4-2-1-3-5-11/h1-5,9-10,13H,6-8H2,(H,18,21)(H,20,22)/t13-/m1/s1.
What are the key properties of 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide?
5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 308.34 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-N-[(6R)-4,5,6,7-tetrahydro-1H-indazol-6-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 126450711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).