4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one

C20H25N3O3 — CID 56878522

IUPAC4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
SMILESCCc1ocnc1C(=O)N1CCC(=O)N(Cc2ccccc2)C(CC)C1
InChIInChI=1S/C20H25N3O3/c1-3-16-13-22(20(25)19-17(4-2)26-14-21-19)11-10-18(24)23(16)12-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3
InChIKeyYTZZWFWBQHSDMU-UHFFFAOYSA-N
MW355.44 g/mol
LogP2.89
Rot. Bonds5

About 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one

4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one (PubChem CID 56878522) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one.

Molecular Properties

Compound Name4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
PubChem CID56878522
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one
SMILESCCc1ocnc1C(=O)N1CCC(=O)N(Cc2ccccc2)C(CC)C1
InChIInChI=1S/C20H25N3O3/c1-3-16-13-22(20(25)19-17(4-2)26-14-21-19)11-10-18(24)23(16)12-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3
InChIKeyYTZZWFWBQHSDMU-UHFFFAOYSA-N
XLogP2.89
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-4-benzyl-3-ethyl-1-(2-ethylpyrimidine-5-carbonyl)-1,4-diazepan-5-one
CID 95551067
(3R)-4-benzyl-1-(3,5-difluoropyridine-2-carbonyl)-3-ethyl-1,4-diazepan-5-one
CID 95558637
4-benzyl-3-ethyl-1-(3-methylfuran-2-carbonyl)-1,4-diazepan-5-one
CID 56880035
1-(2,1-benzoxazole-3-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
CID 56878010
4-benzyl-3-ethyl-1-(1H-pyrrole-2-carbonyl)-1,4-diazepan-5-one
CID 56874335
(3S)-4-benzyl-3-ethyl-1-(3-methyl-1,2-oxazole-5-carbonyl)-1,4-diazepan-5-one
CID 95435607
(3R)-4-benzyl-1-(2-chloropyridine-4-carbonyl)-3-ethyl-1,4-diazepan-5-one
CID 95550865
(4-benzyl-2-ethylpiperazin-1-yl)-(5-ethyl-1,3-oxazol-4-yl)methanone
CID 71994059
4-benzyl-3-ethyl-1-(1H-pyrazole-5-carbonyl)-1,4-diazepan-5-one
CID 56863506
(3R)-4-benzyl-3-ethyl-1-(1-methylpyrazole-3-carbonyl)-1,4-diazepan-5-one
CID 95502161
1-(4-aminopyridine-2-carbonyl)-4-benzyl-3-ethyl-1,4-diazepan-5-one
CID 56863207
(3R)-4-benzyl-N,3-diethyl-5-oxo-1,4-diazepane-1-carboxamide
CID 95557958

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one?
The IUPAC name of 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one (CID 56878522) is 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one.
What is the SMILES notation for 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one?
The canonical SMILES for 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one is CCc1ocnc1C(=O)N1CCC(=O)N(Cc2ccccc2)C(CC)C1.
What is the InChIKey of 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one?
The InChIKey is YTZZWFWBQHSDMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-3-16-13-22(20(25)19-17(4-2)26-14-21-19)11-10-18(24)23(16)12-15-8-6-5-7-9-15/h5-9,14,16H,3-4,10-13H2,1-2H3.
What are the key properties of 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one?
4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one has a molecular weight of 355.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-ethyl-1-(5-ethyl-1,3-oxazole-4-carbonyl)-1,4-diazepan-5-one is sourced from PubChem (CID 56878522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).