N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

C10H15N5O2 — CID 104635396

IUPACN',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCc1oncc1-c1nc(C(N)CN(C)C)no1
InChIInChI=1S/C10H15N5O2/c1-6-7(4-12-16-6)10-13-9(14-17-10)8(11)5-15(2)3/h4,8H,5,11H2,1-3H3
InChIKeyUWGHRPUVFCHBEM-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.59
Rot. Bonds4

About N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine

N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (PubChem CID 104635396) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
PubChem CID104635396
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
SMILESCc1oncc1-c1nc(C(N)CN(C)C)no1
InChIInChI=1S/C10H15N5O2/c1-6-7(4-12-16-6)10-13-9(14-17-10)8(11)5-15(2)3/h4,8H,5,11H2,1-3H3
InChIKeyUWGHRPUVFCHBEM-UHFFFAOYSA-N
XLogP0.59
TPSA94.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(2,6-dimethyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635095
1-[5-(3,5-dibromophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 107974503
1-[5-(3-methoxy-4-pyridinyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 105064392
3-(1-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazole
CID 102660898
1-[5-(5-bromo-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635299
1-[5-(4-chloro-2-fluorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635157
N',N'-dimethyl-1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635334
1-[5-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635206
N',N'-dimethyl-1-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635174
1-[5-(5-bromo-4-methylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 104635185
N',N'-dimethyl-1-[5-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine
CID 104635213
1-[5-(5-bromothiophen-3-yl)-1,2,4-oxadiazol-3-yl]-N',N'-dimethylethane-1,2-diamine
CID 114021757

Frequently Asked Questions

What is the IUPAC name of N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The IUPAC name of N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine (CID 104635396) is N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine.
What is the SMILES notation for N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The canonical SMILES for N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is Cc1oncc1-c1nc(C(N)CN(C)C)no1.
What is the InChIKey of N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
The InChIKey is UWGHRPUVFCHBEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-6-7(4-12-16-6)10-13-9(14-17-10)8(11)5-15(2)3/h4,8H,5,11H2,1-3H3.
What are the key properties of N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine?
N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine has a molecular weight of 237.26 g/mol, XLogP of 0.59, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-1-[5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-yl]ethane-1,2-diamine is sourced from PubChem (CID 104635396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).