2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole

C11H13NOS — CID 138970179

IUPAC2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole
SMILESCC(C)Cc1ncc(-c2ccsc2)o1
InChIInChI=1S/C11H13NOS/c1-8(2)5-11-12-6-10(13-11)9-3-4-14-7-9/h3-4,6-8H,5H2,1-2H3
InChIKeyZDLQDWPIWYDMQK-UHFFFAOYSA-N
MW207.30 g/mol
LogP3.60
Rot. Bonds3

About 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole

2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole (PubChem CID 138970179) has the molecular formula C11H13NOS and a molecular weight of 207.30 g/mol. Its IUPAC name is 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole.

Molecular Properties

Compound Name2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole
PubChem CID138970179
Molecular FormulaC11H13NOS
Molecular Weight207.30 g/mol
Exact Mass207.07
IUPAC Name2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole
SMILESCC(C)Cc1ncc(-c2ccsc2)o1
InChIInChI=1S/C11H13NOS/c1-8(2)5-11-12-6-10(13-11)9-3-4-14-7-9/h3-4,6-8H,5H2,1-2H3
InChIKeyZDLQDWPIWYDMQK-UHFFFAOYSA-N
XLogP3.60
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-Cyclobutyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 122187178
4-(2-Methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 122187181
4-(2-Cyclobutyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 122187183
4-[2-(Pyrrolidine-1-carbonyl)-1,3-oxazol-5-yl]thiophene-2-sulfonamide
CID 122187184
5-(4-Fluorophenyl)-2-thiophen-2-yloxazole
CID 856373
1-(5-(Thiophen-2-yl)oxazol-2-yl)octadec-9-en-1-one
CID 44387775
5-(2-Methyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 122187176
5-(2-Cyclopropyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 122187177
4-(2-Cyclopropyl-1,3-oxazol-5-yl)thiophene-2-sulfonamide
CID 122187182
7-Phenyl-1-(5-(thiophen-2-yl)oxazol-2-yl)heptan-1-one
CID 11739291
5-Phenyl-2-(thiophen-2-YL)oxazole
CID 4303653
5-(Thiophen-2-yl)-1,3-oxazole
CID 2797208

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole?
The IUPAC name of 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole (CID 138970179) is 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole.
What is the SMILES notation for 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole?
The canonical SMILES for 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole is CC(C)Cc1ncc(-c2ccsc2)o1.
What is the InChIKey of 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole?
The InChIKey is ZDLQDWPIWYDMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS/c1-8(2)5-11-12-6-10(13-11)9-3-4-14-7-9/h3-4,6-8H,5H2,1-2H3.
What are the key properties of 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole?
2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole has a molecular weight of 207.30 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-5-thiophen-3-yl-1,3-oxazole is sourced from PubChem (CID 138970179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).