ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene

C17H30N4O — CID 143870015

IUPACethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene
SMILESC=CC.C=NN.CC.CC.Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C9H8N2O.C3H6.2C2H6.CH4N2/c1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-3-2;2*1-2;1-3-2/h2-6H,1H3;3H,1H2,2H3;2*1-2H3;1-2H2
InChIKeyAWDNQQSHGLIAOB-UHFFFAOYSA-N
MW306.45 g/mol
LogP4.85
Rot. Bonds1

About ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene

ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene (PubChem CID 143870015) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene.

Molecular Properties

Compound Nameethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene
PubChem CID143870015
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC Nameethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene
SMILESC=CC.C=NN.CC.CC.Cc1noc(-c2ccccc2)n1
InChIInChI=1S/C9H8N2O.C3H6.2C2H6.CH4N2/c1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-3-2;2*1-2;1-3-2/h2-6H,1H3;3H,1H2,2H3;2*1-2H3;1-2H2
InChIKeyAWDNQQSHGLIAOB-UHFFFAOYSA-N
XLogP4.85
TPSA77.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
3-methyl-5-pyridin-4-yl-1,2,4-oxadiazole
CID 21025706
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
N,N-dimethyl-N'-(5-phenyl-1,2,4-oxadiazol-3-yl)methanimidamide
CID 12872491
N-methyl-4-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 82468711
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
5-phenyl-1,2,4-oxadiazole-3-carbothioamide
CID 130016702
1-[2-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]phenyl]ethanone
CID 70010395
5-(6-bromo-3-phenyl-1-benzothiophen-2-yl)-3-methyl-1,2,4-oxadiazole
CID 143404702
benzyl N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 110643709
3-methyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 12569663
3-ethyl-5-phenyl-1,2,4-oxadiazole
CID 20678688

Frequently Asked Questions

What is the IUPAC name of ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene?
The IUPAC name of ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene (CID 143870015) is ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene.
What is the SMILES notation for ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene?
The canonical SMILES for ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene is C=CC.C=NN.CC.CC.Cc1noc(-c2ccccc2)n1.
What is the InChIKey of ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene?
The InChIKey is AWDNQQSHGLIAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C3H6.2C2H6.CH4N2/c1-7-10-9(12-11-7)8-5-3-2-4-6-8;1-3-2;2*1-2;1-3-2/h2-6H,1H3;3H,1H2,2H3;2*1-2H3;1-2H2.
What are the key properties of ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene?
ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene has a molecular weight of 306.45 g/mol, XLogP of 4.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methylidenehydrazine;3-methyl-5-phenyl-1,2,4-oxadiazole;prop-1-ene is sourced from PubChem (CID 143870015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).