2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide

C14H22N4O3 — CID 79234327

IUPAC2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
SMILESCc1noc(C)c1C(C)NC(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H22N4O3/c1-9(12-10(2)17-21-11(12)3)16-13(19)14(20)18-7-4-5-15-6-8-18/h9,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyBNDDBVXQQWOHIA-UHFFFAOYSA-N
MW294.36 g/mol
LogP0.29
Rot. Bonds2

About 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide

2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide (PubChem CID 79234327) has the molecular formula C14H22N4O3 and a molecular weight of 294.36 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
PubChem CID79234327
Molecular FormulaC14H22N4O3
Molecular Weight294.36 g/mol
Exact Mass294.17
IUPAC Name2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide
SMILESCc1noc(C)c1C(C)NC(=O)C(=O)N1CCCNCC1
InChIInChI=1S/C14H22N4O3/c1-9(12-10(2)17-21-11(12)3)16-13(19)14(20)18-7-4-5-15-6-8-18/h9,15H,4-8H2,1-3H3,(H,16,19)
InChIKeyBNDDBVXQQWOHIA-UHFFFAOYSA-N
XLogP0.29
TPSA87.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperazine-1-sulfonamide
CID 79242650
N-butan-2-yl-2-(1,4-diazepan-1-yl)-2-oxoacetamide
CID 43145054
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169
1-(azepan-1-yl)-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]propan-1-one
CID 78961619
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]azetidine-3-carboxamide
CID 79236864
(3S)-1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylcarbamoyl]piperidine-3-carboxylic acid
CID 81118238
1-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-methylurea
CID 115626660
N-(3-methyl-1,2-oxazol-5-yl)-2-oxo-2-piperazin-1-ylacetamide
CID 82511012
1-(1,4-diazepan-1-yl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]ethanone;hydrochloride
CID 119414034
(2S)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]piperidine-2-carboxamide
CID 103811457
N-[1-(5-methylthiophen-2-yl)ethyl]-2-oxo-2-piperazin-1-ylacetamide
CID 61475614
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide (CID 79234327) is 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide is Cc1noc(C)c1C(C)NC(=O)C(=O)N1CCCNCC1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide?
The InChIKey is BNDDBVXQQWOHIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O3/c1-9(12-10(2)17-21-11(12)3)16-13(19)14(20)18-7-4-5-15-6-8-18/h9,15H,4-8H2,1-3H3,(H,16,19).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide?
2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide has a molecular weight of 294.36 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-oxoacetamide is sourced from PubChem (CID 79234327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).