2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine

C10H12N4O2 — CID 103436854

IUPAC2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCOCc1cccc(Nc2nnc(N)o2)c1
InChIInChI=1S/C10H12N4O2/c1-15-6-7-3-2-4-8(5-7)12-10-14-13-9(11)16-10/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyJWRIPJSUDHNNJC-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.54
Rot. Bonds4

About 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine

2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436854) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436854
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
SMILESCOCc1cccc(Nc2nnc(N)o2)c1
InChIInChI=1S/C10H12N4O2/c1-15-6-7-3-2-4-8(5-7)12-10-14-13-9(11)16-10/h2-5H,6H2,1H3,(H2,11,13)(H,12,14)
InChIKeyJWRIPJSUDHNNJC-UHFFFAOYSA-N
XLogP1.54
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 106971403
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436739
4-N-[3-(methoxymethyl)phenyl]-6-methylpyrimidine-2,4-diamine
CID 112726133
3-(methoxymethyl)-N-methylaniline
CID 23080905
4,5-dimethoxy-2-N-[3-(methoxymethyl)phenyl]benzene-1,2-diamine
CID 83004428
5-N-[3-(methoxymethyl)phenyl]-1,3-dimethylpyrazole-4,5-diamine
CID 54965215
N-(3-ethylphenyl)-5-[(2-methoxyethylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106968324
6-N-[3-(methoxymethyl)phenyl]-4-(trifluoromethyl)pyridine-2,6-diamine
CID 102717930
5-fluoro-4-N-[3-(methoxymethyl)phenyl]pyrimidine-2,4-diamine
CID 80802102
2,3,5,6-tetrafluoro-N-[3-(methoxymethyl)phenyl]pyridin-4-amine
CID 79904677
6-chloro-N-[3-(methoxymethyl)phenyl]-4,5-dimethylpyridazin-3-amine
CID 55168145
methyl 3-amino-2-[3-(methoxymethyl)anilino]benzoate
CID 115934435

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine (CID 103436854) is 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine is COCc1cccc(Nc2nnc(N)o2)c1.
What is the InChIKey of 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is JWRIPJSUDHNNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-15-6-7-3-2-4-8(5-7)12-10-14-13-9(11)16-10/h2-5H,6H2,1H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine?
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 220.23 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).