5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine

C11H17N5O2S — CID 66188755

IUPAC5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCOCc1cc(CSc2nnc(N)n2C(C)C)no1
InChIInChI=1S/C11H17N5O2S/c1-7(2)16-10(12)13-14-11(16)19-6-8-4-9(5-17-3)18-15-8/h4,7H,5-6H2,1-3H3,(H2,12,13)
InChIKeyADWUPLJVYKJVIB-UHFFFAOYSA-N
MW283.36 g/mol
LogP1.87
Rot. Bonds6

About 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine

5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine (PubChem CID 66188755) has the molecular formula C11H17N5O2S and a molecular weight of 283.36 g/mol. Its IUPAC name is 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
PubChem CID66188755
Molecular FormulaC11H17N5O2S
Molecular Weight283.36 g/mol
Exact Mass283.11
IUPAC Name5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
SMILESCOCc1cc(CSc2nnc(N)n2C(C)C)no1
InChIInChI=1S/C11H17N5O2S/c1-7(2)16-10(12)13-14-11(16)19-6-8-4-9(5-17-3)18-15-8/h4,7H,5-6H2,1-3H3,(H2,12,13)
InChIKeyADWUPLJVYKJVIB-UHFFFAOYSA-N
XLogP1.87
TPSA91.99 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine with MolForge

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Related Compounds

5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
CID 66188561
5-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2-oxazole-3-carbohydrazide
CID 63581050
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-5-methylaniline
CID 66158403
3-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylaniline
CID 79143772
4-fluoro-2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]aniline
CID 79149083
2-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]propan-1-amine
CID 66220105
[5-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-yl]methanamine
CID 55204862
4-propan-2-yl-5-(pyrazin-2-ylmethylsulfanyl)-1,2,4-triazol-3-amine
CID 63096477
4-[(5-amino-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]-N-cyclopropyl-N-methyl-1,3-thiazol-2-amine
CID 71968937
5-[(6-ethoxy-2-pyridinyl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 84600812
5-[(5-chlorothiophen-2-yl)methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine
CID 55179720
1-[1-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methyl]pyrrol-3-yl]ethanamine
CID 79102287

Frequently Asked Questions

What is the IUPAC name of 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine (CID 66188755) is 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine is COCc1cc(CSc2nnc(N)n2C(C)C)no1.
What is the InChIKey of 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
The InChIKey is ADWUPLJVYKJVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S/c1-7(2)16-10(12)13-14-11(16)19-6-8-4-9(5-17-3)18-15-8/h4,7H,5-6H2,1-3H3,(H2,12,13).
What are the key properties of 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine?
5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine has a molecular weight of 283.36 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[5-(methoxymethyl)-1,2-oxazol-3-yl]methylsulfanyl]-4-propan-2-yl-1,2,4-triazol-3-amine is sourced from PubChem (CID 66188755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).