2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide

C19H20N4O4 — CID 131942763

IUPAC2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide
SMILESO=C(CN1CCOc2ccccc2C1)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C19H20N4O4/c24-19(10-22-5-6-27-18-4-2-1-3-15(18)7-22)23(8-16-11-25-13-20-16)9-17-12-26-14-21-17/h1-4,11-14H,5-10H2
InChIKeyUGILHXPAIYPCRF-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.09
Rot. Bonds6

About 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide (PubChem CID 131942763) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide
PubChem CID131942763
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide
SMILESO=C(CN1CCOc2ccccc2C1)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C19H20N4O4/c24-19(10-22-5-6-27-18-4-2-1-3-15(18)7-22)23(8-16-11-25-13-20-16)9-17-12-26-14-21-17/h1-4,11-14H,5-10H2
InChIKeyUGILHXPAIYPCRF-UHFFFAOYSA-N
XLogP2.09
TPSA84.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-hydroxyethyl)-N-(1,3-thiazol-2-ylmethyl)acetamide
CID 50961500
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(2-hydroxyethyl)-N-[(5-methyl-1H-imidazol-4-yl)methyl]acetamide
CID 135100516
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-ylmethyl)prop-2-en-1-amine
CID 103070559
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 70755482
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-N-propan-2-ylacetamide
CID 56760717
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N-(1-methylpyrazol-3-yl)acetamide
CID 135112335
6-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)hexan-2-amine
CID 63189422
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-1-(1-methylpyrrol-2-yl)ethanone
CID 60972282
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanimidamide
CID 63193142
ethyl 3,5-dihydro-2H-1,4-benzoxazepine-4-carboxylate
CID 61068779
2-amino-5-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-oxopentanoic acid
CID 166748781
butyl 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)acetate
CID 60968558

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide (CID 131942763) is 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide is O=C(CN1CCOc2ccccc2C1)N(Cc1cocn1)Cc1cocn1.
What is the InChIKey of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide?
The InChIKey is UGILHXPAIYPCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-19(10-22-5-6-27-18-4-2-1-3-15(18)7-22)23(8-16-11-25-13-20-16)9-17-12-26-14-21-17/h1-4,11-14H,5-10H2.
What are the key properties of 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide?
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide has a molecular weight of 368.39 g/mol, XLogP of 2.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-N,N-bis(1,3-oxazol-4-ylmethyl)acetamide is sourced from PubChem (CID 131942763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).