(5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone

C21H21N3O3 — CID 131691235

IUPAC(5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)Cc2nccn2-c2ccccc2O3)o1
InChIInChI=1S/C21H21N3O3/c1-15-6-7-18(26-15)20(25)23-11-8-21(9-12-23)14-19-22-10-13-24(19)16-4-2-3-5-17(16)27-21/h2-7,10,13H,8-9,11-12,14H2,1H3
InChIKeyCWZXFBLLQXGWMC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.38
Rot. Bonds1

About (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone

(5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone (PubChem CID 131691235) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone.

Molecular Properties

Compound Name(5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone
PubChem CID131691235
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone
SMILESCc1ccc(C(=O)N2CCC3(CC2)Cc2nccn2-c2ccccc2O3)o1
InChIInChI=1S/C21H21N3O3/c1-15-6-7-18(26-15)20(25)23-11-8-21(9-12-23)14-19-22-10-13-24(19)16-4-2-3-5-17(16)27-21/h2-7,10,13H,8-9,11-12,14H2,1H3
InChIKeyCWZXFBLLQXGWMC-UHFFFAOYSA-N
XLogP3.38
TPSA60.50 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(1H-pyrazol-5-yl)methanone
CID 131689336
(1-methylspiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-yl)-(thiadiazol-4-yl)methanone
CID 131689335
6,8-dichloro-1'-(5-methylfuran-2-carbonyl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735582
(5-methylfuran-2-yl)-(1-phenylspiro[2H-indole-3,4'-piperidine]-1'-yl)methanone
CID 155874195
2-ethyl-8-(5-methylfuran-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 155870146
phenyl(spiro[piperidine-4,4'-pyrrolo[2,1-c][1,4]benzoxazine]-1-yl)methanone
CID 54670652
5-methyl-N-[(4S)-1'-methylspiro[3,4-dihydrochromene-2,4'-piperidine]-4-yl]furan-2-carboxamide
CID 51546641
8-(5-methylfuran-2-carbonyl)-4-pyridin-4-yl-1,8-diazaspiro[4.5]decan-2-one
CID 131657887
N'-hydroxy-4-methyl-1-(5-methylfuran-2-carbonyl)piperidine-4-carboximidamide
CID 107162414
(5-methylfuran-2-yl)-[(5R,7R)-7-[(pyrimidin-2-ylamino)methyl]-6-oxa-2-azaspiro[4.5]decan-2-yl]methanone
CID 97477842
(6-methyl-3,5-dihydro-2H-pyrazin-4-yl)-(5-methylfuran-2-yl)methanone
CID 123781224
1-(5-methylfuran-2-carbonyl)-3,4-dihydro-2H-1-benzazepin-5-one
CID 114336564

Frequently Asked Questions

What is the IUPAC name of (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone?
The IUPAC name of (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone (CID 131691235) is (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone.
What is the SMILES notation for (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone?
The canonical SMILES for (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone is Cc1ccc(C(=O)N2CCC3(CC2)Cc2nccn2-c2ccccc2O3)o1.
What is the InChIKey of (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone?
The InChIKey is CWZXFBLLQXGWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-6-7-18(26-15)20(25)23-11-8-21(9-12-23)14-19-22-10-13-24(19)16-4-2-3-5-17(16)27-21/h2-7,10,13H,8-9,11-12,14H2,1H3.
What are the key properties of (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone?
(5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone has a molecular weight of 363.42 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)-spiro[4H-imidazo[2,1-d][1,5]benzoxazepine-5,4'-piperidine]-1'-ylmethanone is sourced from PubChem (CID 131691235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).