[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol

C21H21NO3 — CID 56853664

IUPAC[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2Cc3ccccc3OC(c3ccccc3)C2)o1
InChIInChI=1S/C21H21NO3/c23-15-19-11-10-18(24-19)13-22-12-17-8-4-5-9-20(17)25-21(14-22)16-6-2-1-3-7-16/h1-11,21,23H,12-15H2
InChIKeyNIBQIAAUPPDERJ-UHFFFAOYSA-N
MW335.40 g/mol
LogP3.91
Rot. Bonds4

About [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol

[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol (PubChem CID 56853664) has the molecular formula C21H21NO3 and a molecular weight of 335.40 g/mol. Its IUPAC name is [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol
PubChem CID56853664
Molecular FormulaC21H21NO3
Molecular Weight335.40 g/mol
Exact Mass335.15
IUPAC Name[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol
SMILESOCc1ccc(CN2Cc3ccccc3OC(c3ccccc3)C2)o1
InChIInChI=1S/C21H21NO3/c23-15-19-11-10-18(24-19)13-22-12-17-8-4-5-9-20(17)25-21(14-22)16-6-2-1-3-7-16/h1-11,21,23H,12-15H2
InChIKeyNIBQIAAUPPDERJ-UHFFFAOYSA-N
XLogP3.91
TPSA45.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol with MolForge

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Related Compounds

(2R)-4-[[5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-yl]methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42164472
(2R)-4-(cyclopropylmethyl)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 42423634
2-(4-bromophenyl)-4-ethyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 118678729
(2R)-4-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 26348516
N-(1,2-oxazol-3-ylmethyl)-2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetamide
CID 45226832
N-[2-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethyl]oxolane-3-carboxamide
CID 45199672
N-[(3S,4S)-4-hydroxy-1,1-dioxothiolan-3-yl]-3-(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propanamide
CID 45166999
methyl 5-[[(2R,6S)-2-phenyl-6-propan-2-ylmorpholin-4-yl]methyl]furan-2-carboxylate
CID 155509189
4-oxo-N-[2-[(2R)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]chromene-2-carboxamide
CID 42421062
N-[2-[(2S)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]ethyl]-3-thiophen-2-ylpropanamide
CID 26345173
[(2R)-2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-thiophen-3-ylmethanone
CID 26282125
[5-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)furan-2-yl]methanol
CID 115882999

Frequently Asked Questions

What is the IUPAC name of [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol?
The IUPAC name of [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol (CID 56853664) is [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol is OCc1ccc(CN2Cc3ccccc3OC(c3ccccc3)C2)o1.
What is the InChIKey of [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol?
The InChIKey is NIBQIAAUPPDERJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3/c23-15-19-11-10-18(24-19)13-22-12-17-8-4-5-9-20(17)25-21(14-22)16-6-2-1-3-7-16/h1-11,21,23H,12-15H2.
What are the key properties of [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol?
[5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol has a molecular weight of 335.40 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(2-phenyl-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)methyl]furan-2-yl]methanol is sourced from PubChem (CID 56853664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).