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

C17H16FN5O2 — CID 175682264

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cncn1C
InChIInChI=1S/C17H16FN5O2/c1-9-3-4-10(15-21-17(25-22-15)11-6-12(11)18)5-13(9)20-16(24)14-7-19-8-23(14)2/h3-5,7-8,11-12H,6H2,1-2H3,(H,20,24)/t11-,12-/m0/s1
InChIKeyTVYUPWACAXORJD-RYUDHWBXSA-N
MW341.35 g/mol
LogP2.86
Rot. Bonds4

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

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide (PubChem CID 175682264) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide
PubChem CID175682264
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cncn1C
InChIInChI=1S/C17H16FN5O2/c1-9-3-4-10(15-21-17(25-22-15)11-6-12(11)18)5-13(9)20-16(24)14-7-19-8-23(14)2/h3-5,7-8,11-12H,6H2,1-2H3,(H,20,24)/t11-,12-/m0/s1
InChIKeyTVYUPWACAXORJD-RYUDHWBXSA-N
XLogP2.86
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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]-3-methylimidazole-4-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide (CID 175682264) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cncn1C.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide?
The InChIKey is TVYUPWACAXORJD-RYUDHWBXSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-9-3-4-10(15-21-17(25-22-15)11-6-12(11)18)5-13(9)20-16(24)14-7-19-8-23(14)2/h3-5,7-8,11-12H,6H2,1-2H3,(H,20,24)/t11-,12-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-3-methylimidazole-4-carboxamide has a molecular weight of 341.35 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 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]-3-methylimidazole-4-carboxamide is sourced from PubChem (CID 175682264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).