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

C11H18N4O2 — CID 81171334

IUPAC2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCc1ccon1
InChIInChI=1S/C11H18N4O2/c16-11(13-8-10-2-7-17-14-10)9-15-5-1-3-12-4-6-15/h2,7,12H,1,3-6,8-9H2,(H,13,16)
InChIKeyLKKPFAPTQPSQME-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.41
Rot. Bonds4

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

2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide (PubChem CID 81171334) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
PubChem CID81171334
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide
SMILESO=C(CN1CCCNCC1)NCc1ccon1
InChIInChI=1S/C11H18N4O2/c16-11(13-8-10-2-7-17-14-10)9-15-5-1-3-12-4-6-15/h2,7,12H,1,3-6,8-9H2,(H,13,16)
InChIKeyLKKPFAPTQPSQME-UHFFFAOYSA-N
XLogP-0.41
TPSA70.40 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.41
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-(1,2-oxazol-3-ylmethyl)acetamide?
The IUPAC name of 2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide (CID 81171334) is 2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The canonical SMILES for 2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide is O=C(CN1CCCNCC1)NCc1ccon1.
What is the InChIKey of 2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
The InChIKey is LKKPFAPTQPSQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c16-11(13-8-10-2-7-17-14-10)9-15-5-1-3-12-4-6-15/h2,7,12H,1,3-6,8-9H2,(H,13,16).
What are the key properties of 2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide?
2-(1,4-diazepan-1-yl)-N-(1,2-oxazol-3-ylmethyl)acetamide has a molecular weight of 238.29 g/mol, XLogP of -0.41, 4 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-(1,2-oxazol-3-ylmethyl)acetamide is sourced from PubChem (CID 81171334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).