2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine

C7H14N4O2 — CID 103437094

IUPAC2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(COC)Nc1nnc(N)o1
InChIInChI=1S/C7H14N4O2/c1-3-5(4-12-2)9-7-11-10-6(8)13-7/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyJRCINFBSBHWAIF-UHFFFAOYSA-N
MW186.21 g/mol
LogP0.49
Rot. Bonds5

About 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine

2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine (PubChem CID 103437094) has the molecular formula C7H14N4O2 and a molecular weight of 186.21 g/mol. Its IUPAC name is 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
PubChem CID103437094
Molecular FormulaC7H14N4O2
Molecular Weight186.21 g/mol
Exact Mass186.11
IUPAC Name2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine
SMILESCCC(COC)Nc1nnc(N)o1
InChIInChI=1S/C7H14N4O2/c1-3-5(4-12-2)9-7-11-10-6(8)13-7/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11)
InChIKeyJRCINFBSBHWAIF-UHFFFAOYSA-N
XLogP0.49
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(aminomethyl)-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962109
3-N-(1-methoxybutan-2-yl)pyrazine-2,3-diamine
CID 102984478
5-(1-aminoethyl)-N-pentan-3-yl-1,3,4-oxadiazol-2-amine
CID 106967664
5-N-(1-methoxybutan-2-yl)pyridine-3,5-diamine
CID 104534853
5-[(tert-butylamino)methyl]-N-(1-methoxypentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106962083
6-chloro-2-N-(1-methoxybutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80837966
2-N-(1-methoxybutan-2-yl)-1,3-thiazole-2,5-diamine
CID 102768548
5-[(2-methoxyethylamino)methyl]-N-(1-methylsulfanylbutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106965524
N-(1-methoxybutan-2-yl)-5-methyl-1,3,4-thiadiazol-2-amine
CID 65209050
5,6-diethyl-N-(1-methoxybutan-2-yl)-1,2,4-triazin-3-amine
CID 105362667
3-amino-5-(1-methoxybutan-2-ylamino)thiophene-2-carboxamide
CID 103508211
2-N-[3-(methoxymethyl)phenyl]-1,3,4-oxadiazole-2,5-diamine
CID 103436854

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The IUPAC name of 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine (CID 103437094) is 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine.
What is the SMILES notation for 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The canonical SMILES for 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine is CCC(COC)Nc1nnc(N)o1.
What is the InChIKey of 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
The InChIKey is JRCINFBSBHWAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N4O2/c1-3-5(4-12-2)9-7-11-10-6(8)13-7/h5H,3-4H2,1-2H3,(H2,8,10)(H,9,11).
What are the key properties of 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine?
2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine has a molecular weight of 186.21 g/mol, XLogP of 0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-methoxybutan-2-yl)-1,3,4-oxadiazole-2,5-diamine is sourced from PubChem (CID 103437094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).