3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine

C7H8N4O2 — CID 106418985

IUPAC3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ccno2)n1
InChIInChI=1S/C7H8N4O2/c1-5-10-7(13-11-5)8-4-6-2-3-9-12-6/h2-3H,4H2,1H3,(H,8,10,11)
InChIKeyRRLOTYDCVORGEB-UHFFFAOYSA-N
MW180.17 g/mol
LogP0.98
Rot. Bonds3

About 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine

3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine (PubChem CID 106418985) has the molecular formula C7H8N4O2 and a molecular weight of 180.17 g/mol. Its IUPAC name is 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
PubChem CID106418985
Molecular FormulaC7H8N4O2
Molecular Weight180.17 g/mol
Exact Mass180.06
IUPAC Name3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine
SMILESCc1noc(NCc2ccno2)n1
InChIInChI=1S/C7H8N4O2/c1-5-10-7(13-11-5)8-4-6-2-3-9-12-6/h2-3H,4H2,1H3,(H,8,10,11)
InChIKeyRRLOTYDCVORGEB-UHFFFAOYSA-N
XLogP0.98
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777292
3-methyl-N-[(2-methylpyrimidin-4-yl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659595
2,6-dimethyl-N-(1,2-oxazol-5-ylmethyl)pyrimidin-4-amine
CID 106419057
4-[[(3-methyl-1,2,4-oxadiazol-5-yl)amino]methyl]phenol
CID 106659974
3-methyl-N-[(4-methyl-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-amine
CID 106659990
3-methyl-N-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-amine
CID 115777298
N-[(4-fluoro-3-methylphenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777296
N-[(2,3-difluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115924870
N-[(3-fluorophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777289
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
N-[(2-bromophenyl)methyl]-3-methyl-1,2,4-oxadiazol-5-amine
CID 115777303
1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine (CID 106418985) is 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine is Cc1noc(NCc2ccno2)n1.
What is the InChIKey of 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine?
The InChIKey is RRLOTYDCVORGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N4O2/c1-5-10-7(13-11-5)8-4-6-2-3-9-12-6/h2-3H,4H2,1H3,(H,8,10,11).
What are the key properties of 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine?
3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine has a molecular weight of 180.17 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(1,2-oxazol-5-ylmethyl)-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 106418985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).