ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate

C10H15N5O3 — CID 139498712

IUPACethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate
SMILESC=NN/C=C(/Cc1nnc(C(=O)OCC)o1)NC
InChIInChI=1S/C10H15N5O3/c1-4-17-10(16)9-15-14-8(18-9)5-7(11-2)6-13-12-3/h6,11,13H,3-5H2,1-2H3/b7-6-
InChIKeyFBSBEEOHXRZNFM-SREVYHEPSA-N
MW253.26 g/mol
LogP0.05
Rot. Bonds7

About ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate

ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate (PubChem CID 139498712) has the molecular formula C10H15N5O3 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate
PubChem CID139498712
Molecular FormulaC10H15N5O3
Molecular Weight253.26 g/mol
Exact Mass253.12
IUPAC Nameethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate
SMILESC=NN/C=C(/Cc1nnc(C(=O)OCC)o1)NC
InChIInChI=1S/C10H15N5O3/c1-4-17-10(16)9-15-14-8(18-9)5-7(11-2)6-13-12-3/h6,11,13H,3-5H2,1-2H3/b7-6-
InChIKeyFBSBEEOHXRZNFM-SREVYHEPSA-N
XLogP0.05
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate with MolForge

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Related Compounds

ethyl 5-(hydroxymethyl)-1,3,4-oxadiazole-2-carboxylate
CID 131969481
ethyl 5-[2-(chloroamino)ethyl]-1,3,4-oxadiazole-2-carboxylate
CID 118374926
ethyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960778
ethyl 5-(2-methylsulfanylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619358
ethyl 5-octyl-1,3,4-oxadiazole-2-carboxylate
CID 112619344
ethyl 5-(2-phenylethyl)-1,3,4-oxadiazole-2-carboxylate
CID 16767504
ethyl 5-(aminomethyl)-1,3,4-oxadiazole-2-carboxylate;2,2,2-trifluoroacetic acid
CID 46856489
ethyl 5-[(2,6-difluorophenyl)methyl]-1,3,4-oxadiazole-2-carboxylate
CID 112619256
ethyl 5-(cyclohexylmethyl)-1,3,4-oxadiazole-2-carboxylate
CID 112619354
ethyl 5-[(3-bromophenyl)methyl]-1,3,4-oxadiazole-2-carboxylate
CID 112619281
methyl 5-undecyl-1,3,4-oxadiazole-2-carboxylate
CID 115960722
ethyl 5-[[[3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]butanoyl]amino]methyl]-1,3,4-oxadiazole-2-carboxylate
CID 90779442

Frequently Asked Questions

What is the IUPAC name of ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate?
The IUPAC name of ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate (CID 139498712) is ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate.
What is the SMILES notation for ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate?
The canonical SMILES for ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate is C=NN/C=C(/Cc1nnc(C(=O)OCC)o1)NC.
What is the InChIKey of ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate?
The InChIKey is FBSBEEOHXRZNFM-SREVYHEPSA-N. The full InChI is InChI=1S/C10H15N5O3/c1-4-17-10(16)9-15-14-8(18-9)5-7(11-2)6-13-12-3/h6,11,13H,3-5H2,1-2H3/b7-6-.
What are the key properties of ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate?
ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate has a molecular weight of 253.26 g/mol, XLogP of 0.05, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[(Z)-2-(methylamino)-3-(2-methylidenehydrazinyl)prop-2-enyl]-1,3,4-oxadiazole-2-carboxylate is sourced from PubChem (CID 139498712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).