[4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol

C23H24N2O3 — CID 45166588

IUPAC[4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol
SMILESCOc1ccc(CN2CCOc3ccc(C(O)c4cccnc4)cc3C2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-21-7-4-17(5-8-21)15-25-11-12-28-22-9-6-18(13-20(22)16-25)23(26)19-3-2-10-24-14-19/h2-10,13-14,23,26H,11-12,15-16H2,1H3
InChIKeyMSTFLASNDUKQIU-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.57
Rot. Bonds5

About [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol

[4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol (PubChem CID 45166588) has the molecular formula C23H24N2O3 and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol
PubChem CID45166588
Molecular FormulaC23H24N2O3
Molecular Weight376.46 g/mol
Exact Mass376.18
IUPAC Name[4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol
SMILESCOc1ccc(CN2CCOc3ccc(C(O)c4cccnc4)cc3C2)cc1
InChIInChI=1S/C23H24N2O3/c1-27-21-7-4-17(5-8-21)15-25-11-12-28-22-9-6-18(13-20(22)16-25)23(26)19-3-2-10-24-14-19/h2-10,13-14,23,26H,11-12,15-16H2,1H3
InChIKeyMSTFLASNDUKQIU-UHFFFAOYSA-N
XLogP3.57
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol (CID 45166588) is [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol is COc1ccc(CN2CCOc3ccc(C(O)c4cccnc4)cc3C2)cc1.
What is the InChIKey of [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol?
The InChIKey is MSTFLASNDUKQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3/c1-27-21-7-4-17(5-8-21)15-25-11-12-28-22-9-6-18(13-20(22)16-25)23(26)19-3-2-10-24-14-19/h2-10,13-14,23,26H,11-12,15-16H2,1H3.
What are the key properties of [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol?
[4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol has a molecular weight of 376.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-methoxyphenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepin-7-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 45166588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).