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

C24H18FN5O3 — CID 175682550

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3[nH]ccc3c2)o1
InChIInChI=1S/C24H18FN5O3/c1-12-2-3-14(21-29-24(33-30-21)16-10-17(16)25)9-19(12)28-22(31)20-11-27-23(32-20)15-4-5-18-13(8-15)6-7-26-18/h2-9,11,16-17,26H,10H2,1H3,(H,28,31)/t16-,17-/m0/s1
InChIKeyYRSMAKATUZQPMQ-IRXDYDNUSA-N
MW443.44 g/mol
LogP5.26
Rot. Bonds5

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

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide (PubChem CID 175682550) has the molecular formula C24H18FN5O3 and a molecular weight of 443.44 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indol-5-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-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide
PubChem CID175682550
Molecular FormulaC24H18FN5O3
Molecular Weight443.44 g/mol
Exact Mass443.14
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3[nH]ccc3c2)o1
InChIInChI=1S/C24H18FN5O3/c1-12-2-3-14(21-29-24(33-30-21)16-10-17(16)25)9-19(12)28-22(31)20-11-27-23(32-20)15-4-5-18-13(8-15)6-7-26-18/h2-9,11,16-17,26H,10H2,1H3,(H,28,31)/t16-,17-/m0/s1
InChIKeyYRSMAKATUZQPMQ-IRXDYDNUSA-N
XLogP5.26
TPSA109.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.44
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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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-(1H-indol-5-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-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide (CID 175682550) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indol-5-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-(1H-indol-5-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-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2ccc3[nH]ccc3c2)o1.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide?
The InChIKey is YRSMAKATUZQPMQ-IRXDYDNUSA-N. The full InChI is InChI=1S/C24H18FN5O3/c1-12-2-3-14(21-29-24(33-30-21)16-10-17(16)25)9-19(12)28-22(31)20-11-27-23(32-20)15-4-5-18-13(8-15)6-7-26-18/h2-9,11,16-17,26H,10H2,1H3,(H,28,31)/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-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide has a molecular weight of 443.44 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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-(1H-indol-5-yl)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175682550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).