N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide

C21H17FN4O2 — CID 129104693

IUPACN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1noc2ccccc12
InChIInChI=1S/C21H17FN4O2/c22-15-7-2-3-9-18(15)26-17-10-5-8-16(14(17)12-23-26)24-21(27)20-13-6-1-4-11-19(13)28-25-20/h1-4,6-7,9,11-12,16H,5,8,10H2,(H,24,27)/t16-/m1/s1
InChIKeyPNNRMFOFSOZZPZ-MRXNPFEDSA-N
MW376.39 g/mol
LogP3.96
Rot. Bonds3

About N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide

N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide (PubChem CID 129104693) has the molecular formula C21H17FN4O2 and a molecular weight of 376.39 g/mol. Its IUPAC name is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide
PubChem CID129104693
Molecular FormulaC21H17FN4O2
Molecular Weight376.39 g/mol
Exact Mass376.13
IUPAC NameN-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide
SMILESO=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1noc2ccccc12
InChIInChI=1S/C21H17FN4O2/c22-15-7-2-3-9-18(15)26-17-10-5-8-16(14(17)12-23-26)24-21(27)20-13-6-1-4-11-19(13)28-25-20/h1-4,6-7,9,11-12,16H,5,8,10H2,(H,24,27)/t16-/m1/s1
InChIKeyPNNRMFOFSOZZPZ-MRXNPFEDSA-N
XLogP3.96
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide (CID 129104693) is N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide is O=C(N[C@@H]1CCCc2c1cnn2-c1ccccc1F)c1noc2ccccc12.
What is the InChIKey of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide?
The InChIKey is PNNRMFOFSOZZPZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C21H17FN4O2/c22-15-7-2-3-9-18(15)26-17-10-5-8-16(14(17)12-23-26)24-21(27)20-13-6-1-4-11-19(13)28-25-20/h1-4,6-7,9,11-12,16H,5,8,10H2,(H,24,27)/t16-/m1/s1.
What are the key properties of N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide?
N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide has a molecular weight of 376.39 g/mol, XLogP of 3.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4R)-1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 129104693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).