2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole

C10H9NOS — CID 142768692

IUPAC2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2cnc(C3CC3)o2)c1
InChIInChI=1S/C10H9NOS/c1-2-9(13-5-1)8-6-11-10(12-8)7-3-4-7/h1-2,5-7H,3-4H2
InChIKeyACHOTVLFHAFTCJ-UHFFFAOYSA-N
MW191.26 g/mol
LogP3.28
Rot. Bonds2

About 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole

2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole (PubChem CID 142768692) has the molecular formula C10H9NOS and a molecular weight of 191.26 g/mol. Its IUPAC name is 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole
PubChem CID142768692
Molecular FormulaC10H9NOS
Molecular Weight191.26 g/mol
Exact Mass191.04
IUPAC Name2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole
SMILESc1csc(-c2cnc(C3CC3)o2)c1
InChIInChI=1S/C10H9NOS/c1-2-9(13-5-1)8-6-11-10(12-8)7-3-4-7/h1-2,5-7H,3-4H2
InChIKeyACHOTVLFHAFTCJ-UHFFFAOYSA-N
XLogP3.28
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.26
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole (CID 142768692) is 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole is c1csc(-c2cnc(C3CC3)o2)c1.
What is the InChIKey of 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole?
The InChIKey is ACHOTVLFHAFTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NOS/c1-2-9(13-5-1)8-6-11-10(12-8)7-3-4-7/h1-2,5-7H,3-4H2.
What are the key properties of 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole?
2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole has a molecular weight of 191.26 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 142768692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).