5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole

C14H21N3OS — CID 170282735

IUPAC5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole
SMILESCc1nnsc1C(C)(C)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H21N3OS/c1-9-12(19-17-16-9)14(5,6)7-11-15-8-10(18-11)13(2,3)4/h8H,7H2,1-6H3
InChIKeyLEFLXSMFCCQVAA-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.65
Rot. Bonds3

About 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole

5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole (PubChem CID 170282735) has the molecular formula C14H21N3OS and a molecular weight of 279.41 g/mol. Its IUPAC name is 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole
PubChem CID170282735
Molecular FormulaC14H21N3OS
Molecular Weight279.41 g/mol
Exact Mass279.14
IUPAC Name5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole
SMILESCc1nnsc1C(C)(C)Cc1ncc(C(C)(C)C)o1
InChIInChI=1S/C14H21N3OS/c1-9-12(19-17-16-9)14(5,6)7-11-15-8-10(18-11)13(2,3)4/h8H,7H2,1-6H3
InChIKeyLEFLXSMFCCQVAA-UHFFFAOYSA-N
XLogP3.65
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole (CID 170282735) is 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole is Cc1nnsc1C(C)(C)Cc1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole?
The InChIKey is LEFLXSMFCCQVAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3OS/c1-9-12(19-17-16-9)14(5,6)7-11-15-8-10(18-11)13(2,3)4/h8H,7H2,1-6H3.
What are the key properties of 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole?
5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole has a molecular weight of 279.41 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[2-methyl-2-(4-methylthiadiazol-5-yl)propyl]-1,3-oxazole is sourced from PubChem (CID 170282735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).