2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide

About 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide

2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide (PubChem CID 171796236) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide.

Molecular Properties

Compound Name	2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
PubChem CID	171796236
Molecular Formula	C26H30FN5O3
Molecular Weight	479.56 g/mol
Exact Mass	479.23
IUPAC Name	2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide
SMILES	Cc1ccc(-c2noc(C3CC3F)n2)cc1NC=O.Cc1cnc2n1C=CC(C)(C(C)(C)O)C=C2
InChI	InChI=1S/C13H12FN3O2.C13H18N2O/c1-7-2-3-8(4-11(7)15-6-18)12-16-13(19-17-12)9-5-10(9)14;1-10-9-14-11-5-6-13(4,12(2,3)16)7-8-15(10)11/h2-4,6,9-10H,5H2,1H3,(H,15,18);5-9,16H,1-4H3
InChIKey	KVTBEVJJBBAKBF-UHFFFAOYSA-N
XLogP	4.90
TPSA	106.07 Å²
H-Bond Donors	2
H-Bond Acceptors	7
Rotatable Bonds	5
Heavy Atoms	35
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	4.90
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide?

The IUPAC name of 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide (CID 171796236) is 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide.

What is the SMILES notation for 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide?

The canonical SMILES for 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide is Cc1ccc(-c2noc(C3CC3F)n2)cc1NC=O.Cc1cnc2n1C=CC(C)(C(C)(C)O)C=C2.

What is the InChIKey of 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide?

The InChIKey is KVTBEVJJBBAKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O2.C13H18N2O/c1-7-2-3-8(4-11(7)15-6-18)12-16-13(19-17-12)9-5-10(9)14;1-10-9-14-11-5-6-13(4,12(2,3)16)7-8-15(10)11/h2-4,6,9-10H,5H2,1H3,(H,15,18);5-9,16H,1-4H3.

What are the key properties of 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide?

2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide has a molecular weight of 479.56 g/mol, XLogP of 4.90, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,7-dimethylimidazo[1,2-a]azepin-7-yl)propan-2-ol;N-[5-[5-(2-fluorocyclopropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]formamide is sourced from PubChem (CID 171796236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).