[4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone

C20H23N5O2 — CID 139598913

IUPAC[4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
SMILESCCc1cc(CN2CCCN(C(=O)c3cnc4ccccc4n3)CC2)on1
InChIInChI=1S/C20H23N5O2/c1-2-15-12-16(27-23-15)14-24-8-5-9-25(11-10-24)20(26)19-13-21-17-6-3-4-7-18(17)22-19/h3-4,6-7,12-13H,2,5,8-11,14H2,1H3
InChIKeyJRALUCBCNQYAKB-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.53
Rot. Bonds4

About [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone

[4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone (PubChem CID 139598913) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone.

Molecular Properties

Compound Name[4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
PubChem CID139598913
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
SMILESCCc1cc(CN2CCCN(C(=O)c3cnc4ccccc4n3)CC2)on1
InChIInChI=1S/C20H23N5O2/c1-2-15-12-16(27-23-15)14-24-8-5-9-25(11-10-24)20(26)19-13-21-17-6-3-4-7-18(17)22-19/h3-4,6-7,12-13H,2,5,8-11,14H2,1H3
InChIKeyJRALUCBCNQYAKB-UHFFFAOYSA-N
XLogP2.53
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone with MolForge

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Related Compounds

[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 46419065
[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone
CID 47067486
1-[4-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]ethanone
CID 30760408
(4-aminopiperidin-1-yl)-quinoxalin-2-ylmethanone
CID 103629630
[4-[(1R,2S)-2-hydroxycyclopentyl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 95758800
[4-(2-hydroxy-2-thiophen-2-ylethyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 90603450
[4-(3-piperidin-1-ylpropoxy)phenyl]-[4-(quinoxaline-2-carbonyl)piperazin-1-yl]methanone
CID 10005692
[4-(methylamino)piperidin-1-yl]-quinoxalin-2-ylmethanone;dihydrochloride
CID 119559840
[4-(4-methoxyphenyl)piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 18192931
N-cyclohexyl-4-(quinoxaline-2-carbonyl)piperazine-1-carboxamide
CID 55595762
N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1-(quinoxaline-2-carbonyl)piperidine-4-carboxamide
CID 90602247
[4-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]-quinoxalin-2-ylmethanone
CID 122341062

Frequently Asked Questions

What is the IUPAC name of [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone?
The IUPAC name of [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone (CID 139598913) is [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone.
What is the SMILES notation for [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone?
The canonical SMILES for [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone is CCc1cc(CN2CCCN(C(=O)c3cnc4ccccc4n3)CC2)on1.
What is the InChIKey of [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone?
The InChIKey is JRALUCBCNQYAKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-2-15-12-16(27-23-15)14-24-8-5-9-25(11-10-24)20(26)19-13-21-17-6-3-4-7-18(17)22-19/h3-4,6-7,12-13H,2,5,8-11,14H2,1H3.
What are the key properties of [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone?
[4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone has a molecular weight of 365.44 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-ethyl-1,2-oxazol-5-yl)methyl]-1,4-diazepan-1-yl]-quinoxalin-2-ylmethanone is sourced from PubChem (CID 139598913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).