(1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide

C14H15N7O2 — CID 172978498

IUPAC(1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(-c2nnc(CC)o2)ccc1OC
InChIInChI=1S/C14H15N7O2/c1-3-12-20-21-14(23-12)8-4-5-11(22-2)9(6-8)18-19-10(7-15)13(16)17/h4-6,18H,3H2,1-2H3,(H3,16,17)/b19-10+
InChIKeyFHEQMSDUTVKNRO-VXLYETTFSA-N
MW313.32 g/mol
LogP1.54
Rot. Bonds6

About (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide

(1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide (PubChem CID 172978498) has the molecular formula C14H15N7O2 and a molecular weight of 313.32 g/mol. Its IUPAC name is (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide.

Molecular Properties

Compound Name(1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
PubChem CID172978498
Molecular FormulaC14H15N7O2
Molecular Weight313.32 g/mol
Exact Mass313.13
IUPAC Name(1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
SMILES[H]/N=C(N)/C(C#N)=N/Nc1cc(-c2nnc(CC)o2)ccc1OC
InChIInChI=1S/C14H15N7O2/c1-3-12-20-21-14(23-12)8-4-5-11(22-2)9(6-8)18-19-10(7-15)13(16)17/h4-6,18H,3H2,1-2H3,(H3,16,17)/b19-10+
InChIKeyFHEQMSDUTVKNRO-VXLYETTFSA-N
XLogP1.54
TPSA146.20 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.32
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_A(37)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-2-amino-N-[5-(imidazol-1-ylmethyl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide
CID 172977488
(1Z)-2-amino-N-[[2-(3-chloro-4-methoxyphenyl)-1,3-benzoxazol-5-yl]amino]-2-iminoethanimidoyl cyanide
CID 172978990
(1Z)-2-amino-N-(3-fluoro-4-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172980256
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-5-ethylsulfanyl-2-methoxybenzoic acid
CID 172980275
(1Z)-2-amino-N-(4-chloro-2-cyano-5-methoxyanilino)-2-iminoethanimidoyl cyanide
CID 172979926
4-[(2Z)-2-(2-amino-1-cyano-2-iminoethylidene)hydrazinyl]-2-methoxybenzoic acid
CID 172931853
2-chloro-N'-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyphenyl]ethanimidamide
CID 169367879
(1Z)-2-amino-N-[4-[(2,5-dimethoxyphenyl)sulfamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172977921
(1Z)-2-amino-N-[2-chloro-5-(6-methoxyimidazo[1,2-b]pyridazin-2-yl)anilino]-2-iminoethanimidoyl cyanide
CID 172979173
(1Z)-2-amino-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]anilino]-2-iminoethanimidoyl cyanide
CID 172977953
(1Z)-2-amino-2-imino-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)anilino]ethanimidoyl cyanide
CID 172978212
(1Z)-2-amino-2-imino-N-[4-methoxy-2-(trifluoromethyl)anilino]ethanimidoyl cyanide
CID 172931947

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide?
The IUPAC name of (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide (CID 172978498) is (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide.
What is the SMILES notation for (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide?
The canonical SMILES for (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide is [H]/N=C(N)/C(C#N)=N/Nc1cc(-c2nnc(CC)o2)ccc1OC.
What is the InChIKey of (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide?
The InChIKey is FHEQMSDUTVKNRO-VXLYETTFSA-N. The full InChI is InChI=1S/C14H15N7O2/c1-3-12-20-21-14(23-12)8-4-5-11(22-2)9(6-8)18-19-10(7-15)13(16)17/h4-6,18H,3H2,1-2H3,(H3,16,17)/b19-10+.
What are the key properties of (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide?
(1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide has a molecular weight of 313.32 g/mol, XLogP of 1.54, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-amino-N-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-methoxyanilino]-2-iminoethanimidoyl cyanide is sourced from PubChem (CID 172978498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).