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

C20H21FN4O2 — CID 24791131

IUPACN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)no1
InChIInChI=1S/C20H21FN4O2/c1-12(2)19-10-16(24-27-19)20(26)23-15-7-5-9-17-13(15)11-22-25(17)18-8-4-3-6-14(18)21/h3-4,6,8,10-12,15H,5,7,9H2,1-2H3,(H,23,26)
InChIKeyFAVVNRJAVCLQEF-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.93
Rot. Bonds4

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

N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 24791131) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID24791131
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)no1
InChIInChI=1S/C20H21FN4O2/c1-12(2)19-10-16(24-27-19)20(26)23-15-7-5-9-17-13(15)11-22-25(17)18-8-4-3-6-14(18)21/h3-4,6,8,10-12,15H,5,7,9H2,1-2H3,(H,23,26)
InChIKeyFAVVNRJAVCLQEF-UHFFFAOYSA-N
XLogP3.93
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
US10889564, Example 13
CID 26396555
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
US10889564, Example 49
CID 129104676
US10889564, Example 22
CID 129104683
US10889564, Example 14
CID 129104702
US10889564, Example 16
CID 129104726
US10889564, Example 8
CID 129104745
US10889564, Example 27
CID 129104756
US10889564, Example 32
CID 129104766
US10889564, Example 30
CID 129104768

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 24791131) is N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)NC2CCCc3c2cnn3-c2ccccc2F)no1.
What is the InChIKey of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is FAVVNRJAVCLQEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-12(2)19-10-16(24-27-19)20(26)23-15-7-5-9-17-13(15)11-22-25(17)18-8-4-3-6-14(18)21/h3-4,6,8,10-12,15H,5,7,9H2,1-2H3,(H,23,26).
What are the key properties of N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 368.41 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24791131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).