N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide

C24H19FN6O3 — CID 175682797

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3cn(C)nc3c2)o1
InChIInChI=1S/C24H19FN6O3/c1-12-3-4-13(21-28-24(34-30-21)16-9-17(16)25)7-18(12)27-22(32)20-10-26-23(33-20)14-5-6-15-11-31(2)29-19(15)8-14/h3-8,10-11,16-17H,9H2,1-2H3,(H,27,32)/t16-,17-/m0/s1
InChIKeyJEWWTCSXZGQGGH-IRXDYDNUSA-N
MW458.45 g/mol
LogP4.66
Rot. Bonds5

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide (PubChem CID 175682797) has the molecular formula C24H19FN6O3 and a molecular weight of 458.45 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide
PubChem CID175682797
Molecular FormulaC24H19FN6O3
Molecular Weight458.45 g/mol
Exact Mass458.15
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3cn(C)nc3c2)o1
InChIInChI=1S/C24H19FN6O3/c1-12-3-4-13(21-28-24(34-30-21)16-9-17(16)25)7-18(12)27-22(32)20-10-26-23(33-20)14-5-6-15-11-31(2)29-19(15)8-14/h3-8,10-11,16-17H,9H2,1-2H3,(H,27,32)/t16-,17-/m0/s1
InChIKeyJEWWTCSXZGQGGH-IRXDYDNUSA-N
XLogP4.66
TPSA111.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.45
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide with MolForge

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Related Compounds

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-pyridin-4-yl-1,3-oxazole-5-carboxamide
CID 175682543
2-(2-aminopyrimidin-5-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
CID 175682830
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indazol-5-yl)-1,3-oxazole-5-carboxamide
CID 175682549
2-(3,4-dihydro-2H-1,4-benzoxazin-7-yl)-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1,3-oxazole-5-carboxamide
CID 175682790
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 175682277
3-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3,6-dicarboxamide
CID 174294984
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-4-methyl-5-oxa-1,10-diazatricyclo[7.3.0.03,7]dodeca-2,7,9,11-tetraene-12-carboxamide
CID 171796633
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-(4-methoxyphenyl)pyrazole-4-carboxamide
CID 175682313
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-phenyl-1H-imidazole-5-carboxamide
CID 175682337
6-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-7-methoxyimidazo[1,2-a]pyridine-3-carboxamide
CID 174292770
5-fluoro-N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]pyrazolo[1,5-a]pyridine-3-carboxamide
CID 171796616
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 178051906

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide (CID 175682797) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3cn(C)nc3c2)o1.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is JEWWTCSXZGQGGH-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H19FN6O3/c1-12-3-4-13(21-28-24(34-30-21)16-9-17(16)25)7-18(12)27-22(32)20-10-26-23(33-20)14-5-6-15-11-31(2)29-19(15)8-14/h3-8,10-11,16-17H,9H2,1-2H3,(H,27,32)/t16-,17-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 458.45 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(2-methylindazol-6-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175682797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).