[[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide

C11H13ClN5O3- — CID 163532374

IUPAC[[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide
SMILESCOCCNc1nonc1C(=[N-])NCc1cc(Cl)co1
InChIInChI=1S/C11H13ClN5O3/c1-18-3-2-14-11-9(16-20-17-11)10(13)15-5-8-4-7(12)6-19-8/h4,6H,2-3,5H2,1H3,(H2-,13,14,15,17)/q-1
InChIKeyDUBKRSDRGJWPML-UHFFFAOYSA-N
MW298.71 g/mol
LogP1.48
Rot. Bonds7

About [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide

[[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide (PubChem CID 163532374) has the molecular formula C11H13ClN5O3- and a molecular weight of 298.71 g/mol. Its IUPAC name is [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide.

Molecular Properties

Compound Name[[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide
PubChem CID163532374
Molecular FormulaC11H13ClN5O3-
Molecular Weight298.71 g/mol
Exact Mass298.07
IUPAC Name[[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide
SMILESCOCCNc1nonc1C(=[N-])NCc1cc(Cl)co1
InChIInChI=1S/C11H13ClN5O3/c1-18-3-2-14-11-9(16-20-17-11)10(13)15-5-8-4-7(12)6-19-8/h4,6H,2-3,5H2,1H3,(H2-,13,14,15,17)/q-1
InChIKeyDUBKRSDRGJWPML-UHFFFAOYSA-N
XLogP1.48
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide with MolForge

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Related Compounds

N-(3-bromo-4-fluorophenyl)-4-(2-methoxyethylamino)-N'-methyl-1,2,5-oxadiazole-3-carboximidamide
CID 163537139
N'-[4-fluoro-3-(trifluoromethyl)phenyl]-4-(2-methoxyethylamino)-1,2,5-oxadiazole-3-carboximidamide
CID 66615456
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
4-(chloromethyl)-N-(3-methoxypropyl)-1,2,5-oxadiazol-3-amine
CID 134268347
N-hydroxy-4-(2-methoxyethylamino)-1,2,5-oxadiazole-3-carboximidoyl chloride;5-hydroxy-N-(2-methoxyethyl)-1,2,5-oxadiazolidin-3-imine
CID 137462280
N-(2-methoxyethyl)-3-[(3,5,6-trichloro-2-pyridinyl)amino]propanamide
CID 102751815
5-chloro-2-N-(3-methoxypropyl)pyridine-2,3-diamine
CID 79021479
3-[(5-chloro-3-fluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 75377090
6-chloro-N-(2-methoxyethyl)-2,5-dimethylpyrimidin-4-amine
CID 63734406
6-N-(2-methoxyethyl)-5-N-prop-2-enyl-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 29088836
N-(2-methoxyethyl)furo[2,3-d]pyridazin-7-amine
CID 131175686
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177

Frequently Asked Questions

What is the IUPAC name of [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide?
The IUPAC name of [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide (CID 163532374) is [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide.
What is the SMILES notation for [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide?
The canonical SMILES for [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide is COCCNc1nonc1C(=[N-])NCc1cc(Cl)co1.
What is the InChIKey of [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide?
The InChIKey is DUBKRSDRGJWPML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN5O3/c1-18-3-2-14-11-9(16-20-17-11)10(13)15-5-8-4-7(12)6-19-8/h4,6H,2-3,5H2,1H3,(H2-,13,14,15,17)/q-1.
What are the key properties of [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide?
[[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide has a molecular weight of 298.71 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[(4-chlorofuran-2-yl)methylamino]-[4-(2-methoxyethylamino)-1,2,5-oxadiazol-3-yl]methylidene]azanide is sourced from PubChem (CID 163532374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).