2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine

C10H12N4O2 — CID 103436739

IUPAC2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOc1ccc(Nc2nnc(N)o2)cc1C
InChIInChI=1S/C10H12N4O2/c1-6-5-7(3-4-8(6)15-2)12-10-14-13-9(11)16-10/h3-5H,1-2H3,(H2,11,13)(H,12,14)
InChIKeyJEOCEHVUUKRXSG-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.71
Rot. Bonds3

About 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine

2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103436739) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103436739
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine
SMILESCOc1ccc(Nc2nnc(N)o2)cc1C
InChIInChI=1S/C10H12N4O2/c1-6-5-7(3-4-8(6)15-2)12-10-14-13-9(11)16-10/h3-5H,1-2H3,(H2,11,13)(H,12,14)
InChIKeyJEOCEHVUUKRXSG-UHFFFAOYSA-N
XLogP1.71
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(4-bromo-3-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437245
2-N-(4-methoxy-3-methylphenyl)-1,3-benzoxazole-2,5-diamine
CID 79890647
2-N-(5-bromo-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436922
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854
2-N-(4-fluoro-2-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103436829
3-N-(4-methoxy-3-methylphenyl)-4-methylbenzene-1,3-diamine
CID 55091364
2-N-(3-bromo-5-methoxyphenyl)-1,3,4-oxadiazole-2,5-diamine
CID 103437248
6-N-(4-methoxy-3-methylphenyl)pyridine-2,3,6-triamine
CID 79828246
2-N-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436661
4-N-(4-methoxy-3-methylphenyl)pyrimidine-2,4,6-triamine
CID 80802485
4-methoxy-3-methyl-N-phenylaniline
CID 23635969
N-(4-methoxy-3-methylphenyl)-4,6-dimethyl-1,3,5-triazin-2-amine
CID 163936403

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine (CID 103436739) is 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine is COc1ccc(Nc2nnc(N)o2)cc1C.
What is the InChIKey of 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is JEOCEHVUUKRXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-6-5-7(3-4-8(6)15-2)12-10-14-13-9(11)16-10/h3-5H,1-2H3,(H2,11,13)(H,12,14).
What are the key properties of 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 220.23 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(4-methoxy-3-methylphenyl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103436739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).