2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile

C10H11N5O2 — CID 154811073

IUPAC2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile
SMILESCc1noc(CCNc2oc(C)nc2C#N)n1
InChIInChI=1S/C10H11N5O2/c1-6-13-9(17-15-6)3-4-12-10-8(5-11)14-7(2)16-10/h12H,3-4H2,1-2H3
InChIKeyGVOAHTNKQFYTGY-UHFFFAOYSA-N
MW233.23 g/mol
LogP1.20
Rot. Bonds4

About 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile

2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile (PubChem CID 154811073) has the molecular formula C10H11N5O2 and a molecular weight of 233.23 g/mol. Its IUPAC name is 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile
PubChem CID154811073
Molecular FormulaC10H11N5O2
Molecular Weight233.23 g/mol
Exact Mass233.09
IUPAC Name2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile
SMILESCc1noc(CCNc2oc(C)nc2C#N)n1
InChIInChI=1S/C10H11N5O2/c1-6-13-9(17-15-6)3-4-12-10-8(5-11)14-7(2)16-10/h12H,3-4H2,1-2H3
InChIKeyGVOAHTNKQFYTGY-UHFFFAOYSA-N
XLogP1.20
TPSA100.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-fluoro-4-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 56787997
2-ethyl-5-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethylamino]-1,3-oxazole-4-carbonitrile
CID 51699869
5-fluoro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 103702860
5-methyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 114186246
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]thiohydroxylamine
CID 155439756
5-amino-6-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-3-carbonitrile
CID 106414189
3-chloro-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pyridine-4-carbonitrile
CID 106417648
2-N-ethyl-3,5-difluoro-6-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,6-diamine
CID 106424365
2,2-dimethyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]pentanenitrile
CID 114186188
N'-(cyanomethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]oxamide
CID 106417469
3-fluoro-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]methyl]benzonitrile
CID 106417301
6-N-ethyl-5-methyl-4-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106424403

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile (CID 154811073) is 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile is Cc1noc(CCNc2oc(C)nc2C#N)n1.
What is the InChIKey of 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile?
The InChIKey is GVOAHTNKQFYTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2/c1-6-13-9(17-15-6)3-4-12-10-8(5-11)14-7(2)16-10/h12H,3-4H2,1-2H3.
What are the key properties of 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile?
2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile has a molecular weight of 233.23 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 154811073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).