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

C15H26N4O2 — CID 71930051

IUPACN,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(Cc2ccon2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-19(4-2)15(20)13-18-8-5-7-17(9-10-18)12-14-6-11-21-16-14/h6,11H,3-5,7-10,12-13H2,1-2H3
InChIKeyCCYSFIJAMWTUOT-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.05
Rot. Bonds6

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

N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide (PubChem CID 71930051) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide
PubChem CID71930051
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC NameN,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide
SMILESCCN(CC)C(=O)CN1CCCN(Cc2ccon2)CC1
InChIInChI=1S/C15H26N4O2/c1-3-19(4-2)15(20)13-18-8-5-7-17(9-10-18)12-14-6-11-21-16-14/h6,11H,3-5,7-10,12-13H2,1-2H3
InChIKeyCCYSFIJAMWTUOT-UHFFFAOYSA-N
XLogP1.05
TPSA52.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide?
The IUPAC name of N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide (CID 71930051) is N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide.
What is the SMILES notation for N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide?
The canonical SMILES for N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide is CCN(CC)C(=O)CN1CCCN(Cc2ccon2)CC1.
What is the InChIKey of N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide?
The InChIKey is CCYSFIJAMWTUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-3-19(4-2)15(20)13-18-8-5-7-17(9-10-18)12-14-6-11-21-16-14/h6,11H,3-5,7-10,12-13H2,1-2H3.
What are the key properties of N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide?
N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide has a molecular weight of 294.40 g/mol, XLogP of 1.05, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-(1,2-oxazol-3-ylmethyl)-1,4-diazepan-1-yl]acetamide is sourced from PubChem (CID 71930051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).