fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole

C13H18FN3O — CID 178051213

IUPACfluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCN.Cc1ccc(-c2ncon2)cc1.FC1CC1
InChIInChI=1S/C9H8N2O.C3H5F.CH5N/c1-7-2-4-8(5-3-7)9-10-6-12-11-9;4-3-1-2-3;1-2/h2-6H,1H3;3H,1-2H2;2H2,1H3
InChIKeyKRMCOMKWDHWXBF-UHFFFAOYSA-N
MW251.31 g/mol
LogP2.74
Rot. Bonds1

About fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole

fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 178051213) has the molecular formula C13H18FN3O and a molecular weight of 251.31 g/mol. Its IUPAC name is fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Namefluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID178051213
Molecular FormulaC13H18FN3O
Molecular Weight251.31 g/mol
Exact Mass251.14
IUPAC Namefluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCN.Cc1ccc(-c2ncon2)cc1.FC1CC1
InChIInChI=1S/C9H8N2O.C3H5F.CH5N/c1-7-2-4-8(5-3-7)9-10-6-12-11-9;4-3-1-2-3;1-2/h2-6H,1H3;3H,1-2H2;2H2,1H3
InChIKeyKRMCOMKWDHWXBF-UHFFFAOYSA-N
XLogP2.74
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-fluoropropan-2-yl)phenyl]-1,2,4-oxadiazole
CID 91422984
4-(1,2,4-oxadiazol-3-yl)benzene-1,2-diamine
CID 67440607
3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole
CID 174462824
3-[4-(chloromethyl)phenyl]-1,2,4-oxadiazole
CID 134817589
3-[4-(3-methoxyoxetan-3-yl)phenyl]-1,2,4-oxadiazole
CID 91393111
(Z)-3-fluoro-3-[4-(1,2,4-oxadiazol-3-yl)phenyl]prop-2-en-1-ol
CID 22631223
2-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120790973
[2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 119468783
[(2R)-2-(aminomethyl)piperidin-1-yl]-[4-(1,2,4-oxadiazol-3-yl)phenyl]methanone
CID 129381673
3-amino-N-[4-(1,2,4-oxadiazol-3-yl)phenyl]cyclohexane-1-carboxamide
CID 119762129
N-(2-amino-2-methylpropyl)-4-(1,2,4-oxadiazol-3-yl)benzamide
CID 119629350
N-[2-(aminomethyl)cyclopentyl]-4-(1,2,4-oxadiazol-3-yl)benzamide;hydrochloride
CID 119604010

Frequently Asked Questions

What is the IUPAC name of fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole (CID 178051213) is fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole is CN.Cc1ccc(-c2ncon2)cc1.FC1CC1.
What is the InChIKey of fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is KRMCOMKWDHWXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O.C3H5F.CH5N/c1-7-2-4-8(5-3-7)9-10-6-12-11-9;4-3-1-2-3;1-2/h2-6H,1H3;3H,1-2H2;2H2,1H3.
What are the key properties of fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole?
fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 251.31 g/mol, XLogP of 2.74, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for fluorocyclopropane;methanamine;3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 178051213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).