N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide (PubChem CID 175682363) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide.

Molecular Properties

Compound Name	N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide
PubChem CID	175682363
Molecular Formula	C26H22FN5O2
Molecular Weight	455.49 g/mol
Exact Mass	455.18
IUPAC Name	N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide
SMILES	C=CCC1c2ccccc2-c2ncc(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)n21
InChI	InChI=1S/C26H22FN5O2/c1-3-6-21-16-7-4-5-8-17(16)24-28-13-22(32(21)24)25(33)29-20-11-15(10-9-14(20)2)23-30-26(34-31-23)18-12-19(18)27/h3-5,7-11,13,18-19,21H,1,6,12H2,2H3,(H,29,33)/t18-,19-,21?/m0/s1
InChIKey	IIDSIANEQPWGRE-CHEUHSMRSA-N
XLogP	5.47
TPSA	85.84 Å²
H-Bond Donors	1
H-Bond Acceptors	6
Rotatable Bonds	6
Heavy Atoms	34
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.49
LogP ≤ 5	5.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide?

The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide (CID 175682363) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide.

What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide?

The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide is C=CCC1c2ccccc2-c2ncc(C(=O)Nc3cc(-c4noc([C@H]5C[C@@H]5F)n4)ccc3C)n21.

What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide?

The InChIKey is IIDSIANEQPWGRE-CHEUHSMRSA-N. The full InChI is InChI=1S/C26H22FN5O2/c1-3-6-21-16-7-4-5-8-17(16)24-28-13-22(32(21)24)25(33)29-20-11-15(10-9-14(20)2)23-30-26(34-31-23)18-12-19(18)27/h3-5,7-11,13,18-19,21H,1,6,12H2,2H3,(H,29,33)/t18-,19-,21?/m0/s1.

What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide?

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide has a molecular weight of 455.49 g/mol, XLogP of 5.47, 6 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]-5-prop-2-enyl-5H-imidazo[2,1-a]isoindole-3-carboxamide is sourced from PubChem (CID 175682363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).