5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine

C11H17N5OS — CID 54955705

IUPAC5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C11H17N5OS/c1-11(2,3)7-5-13-8(17-7)6-18-10-15-14-9(12)16(10)4/h5H,6H2,1-4H3,(H2,12,14)
InChIKeyYQMOHHZZSDPYHX-UHFFFAOYSA-N
MW267.36 g/mol
LogP1.98
Rot. Bonds3

About 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine

5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine (PubChem CID 54955705) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
PubChem CID54955705
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine
SMILESCn1c(N)nnc1SCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C11H17N5OS/c1-11(2,3)7-5-13-8(17-7)6-18-10-15-14-9(12)16(10)4/h5H,6H2,1-4H3,(H2,12,14)
InChIKeyYQMOHHZZSDPYHX-UHFFFAOYSA-N
XLogP1.98
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The IUPAC name of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine (CID 54955705) is 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine is Cn1c(N)nnc1SCc1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
The InChIKey is YQMOHHZZSDPYHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-11(2,3)7-5-13-8(17-7)6-18-10-15-14-9(12)16(10)4/h5H,6H2,1-4H3,(H2,12,14).
What are the key properties of 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine?
5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine has a molecular weight of 267.36 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-tert-butyl-1,3-oxazol-2-yl)methylsulfanyl]-4-methyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 54955705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).