N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine

C8H10N4O2 — CID 106417671

IUPACN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCc1nc(CNCc2ccno2)no1
InChIInChI=1S/C8H10N4O2/c1-6-11-8(12-13-6)5-9-4-7-2-3-10-14-7/h2-3,9H,4-5H2,1H3
InChIKeyOSQSKMIPDHLPOO-UHFFFAOYSA-N
MW194.19 g/mol
LogP0.66
Rot. Bonds4

About N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine

N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 106417671) has the molecular formula C8H10N4O2 and a molecular weight of 194.19 g/mol. Its IUPAC name is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID106417671
Molecular FormulaC8H10N4O2
Molecular Weight194.19 g/mol
Exact Mass194.08
IUPAC NameN-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCc1nc(CNCc2ccno2)no1
InChIInChI=1S/C8H10N4O2/c1-6-11-8(12-13-6)5-9-4-7-2-3-10-14-7/h2-3,9H,4-5H2,1H3
InChIKeyOSQSKMIPDHLPOO-UHFFFAOYSA-N
XLogP0.66
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
1-(5-ethylfuran-2-yl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 107234150
1-(4-ethylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 103721561
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrimidin-4-yl)methanamine
CID 107911446
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(2-methylpyrazol-3-yl)methanamine
CID 103721615
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 107911776
1-(3,4-dibromophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078698
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(4-propan-2-ylphenyl)methanamine
CID 103721585
1-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[(4-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103721557
1-(3,5-dichlorophenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078716
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
1-(2-bromo-4-methylphenyl)-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]methanamine
CID 114078725

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 106417671) is N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is Cc1nc(CNCc2ccno2)no1.
What is the InChIKey of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is OSQSKMIPDHLPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O2/c1-6-11-8(12-13-6)5-9-4-7-2-3-10-14-7/h2-3,9H,4-5H2,1H3.
What are the key properties of N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 194.19 g/mol, XLogP of 0.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 106417671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).