2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide

C12H20N4O2 — CID 65488153

IUPAC2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
SMILESCc1noc(NC(=O)CN2CCCNCC2)c1C
InChIInChI=1S/C12H20N4O2/c1-9-10(2)15-18-12(9)14-11(17)8-16-6-3-4-13-5-7-16/h13H,3-8H2,1-2H3,(H,14,17)
InChIKeyBIPOLYYSQIGNMH-UHFFFAOYSA-N
MW252.32 g/mol
LogP0.53
Rot. Bonds3

About 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide

2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide (PubChem CID 65488153) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
PubChem CID65488153
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide
SMILESCc1noc(NC(=O)CN2CCCNCC2)c1C
InChIInChI=1S/C12H20N4O2/c1-9-10(2)15-18-12(9)14-11(17)8-16-6-3-4-13-5-7-16/h13H,3-8H2,1-2H3,(H,14,17)
InChIKeyBIPOLYYSQIGNMH-UHFFFAOYSA-N
XLogP0.53
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide (CID 65488153) is 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide is Cc1noc(NC(=O)CN2CCCNCC2)c1C.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?
The InChIKey is BIPOLYYSQIGNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-9-10(2)15-18-12(9)14-11(17)8-16-6-3-4-13-5-7-16/h13H,3-8H2,1-2H3,(H,14,17).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide?
2-(1,4-diazepan-1-yl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide has a molecular weight of 252.32 g/mol, XLogP of 0.53, 3 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-(3,4-dimethyl-1,2-oxazol-5-yl)acetamide is sourced from PubChem (CID 65488153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).