2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

C12H21N5O2 — CID 106416092

IUPAC2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CN2CCCNCC2)no1
InChIInChI=1S/C12H21N5O2/c1-10-15-11(16-19-10)3-5-14-12(18)9-17-7-2-4-13-6-8-17/h13H,2-9H2,1H3,(H,14,18)
InChIKeyMJOVGMXTVPLSBP-UHFFFAOYSA-N
MW267.33 g/mol
LogP-0.67
Rot. Bonds5

About 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide

2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (PubChem CID 106416092) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
PubChem CID106416092
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide
SMILESCc1nc(CCNC(=O)CN2CCCNCC2)no1
InChIInChI=1S/C12H21N5O2/c1-10-15-11(16-19-10)3-5-14-12(18)9-17-7-2-4-13-6-8-17/h13H,2-9H2,1H3,(H,14,18)
InChIKeyMJOVGMXTVPLSBP-UHFFFAOYSA-N
XLogP-0.67
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 5-0.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,4-diazepan-1-yl)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]acetamide
CID 106047483
3-(1,4-diazepan-1-ylmethyl)-5-methyl-1,2,4-oxadiazole;dihydrochloride
CID 54592664
2-(1,4-diazepan-1-yl)-N-[2-(3,5-difluorophenyl)ethyl]acetamide
CID 62832012
2-(1,4-diazepan-1-yl)-N-(2-pyridin-4-ylethyl)acetamide
CID 55123139
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 80682467
2-(1,4-diazepan-1-yl)-N-[2-(1-methylpyrazol-3-yl)ethyl]acetamide
CID 106105029
2-(1,4-diazepan-1-yl)-N-[3-(dimethylamino)propyl]acetamide
CID 54773686
2-(1,4-diazepan-1-yl)-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 62839241
N-[2-[[2-(1,4-diazepan-1-yl)acetyl]amino]ethyl]-2-methylpropanamide
CID 62839250
2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
CID 65488153
2-(1,4-diazepan-1-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]acetamide
CID 62838697
methyl 3-[[2-(1,4-diazepan-1-yl)acetyl]amino]propanoate
CID 62837481

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide (CID 106416092) is 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is Cc1nc(CCNC(=O)CN2CCCNCC2)no1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
The InChIKey is MJOVGMXTVPLSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-10-15-11(16-19-10)3-5-14-12(18)9-17-7-2-4-13-6-8-17/h13H,2-9H2,1H3,(H,14,18).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide?
2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide has a molecular weight of 267.33 g/mol, XLogP of -0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazepan-1-yl)-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide is sourced from PubChem (CID 106416092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).