(3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole

C10H11NOS — CID 100965101

IUPAC(3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
SMILESc1csc([C@H]2CC[C@@H]3CON=C32)c1
InChIInChI=1S/C10H11NOS/c1-2-9(13-5-1)8-4-3-7-6-12-11-10(7)8/h1-2,5,7-8H,3-4,6H2/t7-,8-/m1/s1
InChIKeyVSPFLFZTTQPYSP-HTQZYQBOSA-N
MW193.27 g/mol
LogP2.63
Rot. Bonds1

About (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole

(3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole (PubChem CID 100965101) has the molecular formula C10H11NOS and a molecular weight of 193.27 g/mol. Its IUPAC name is (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole.

Molecular Properties

Compound Name(3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
PubChem CID100965101
Molecular FormulaC10H11NOS
Molecular Weight193.27 g/mol
Exact Mass193.06
IUPAC Name(3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole
SMILESc1csc([C@H]2CC[C@@H]3CON=C32)c1
InChIInChI=1S/C10H11NOS/c1-2-9(13-5-1)8-4-3-7-6-12-11-10(7)8/h1-2,5,7-8H,3-4,6H2/t7-,8-/m1/s1
InChIKeyVSPFLFZTTQPYSP-HTQZYQBOSA-N
XLogP2.63
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.27
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole?
The IUPAC name of (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole (CID 100965101) is (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole.
What is the SMILES notation for (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole?
The canonical SMILES for (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole is c1csc([C@H]2CC[C@@H]3CON=C32)c1.
What is the InChIKey of (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole?
The InChIKey is VSPFLFZTTQPYSP-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H11NOS/c1-2-9(13-5-1)8-4-3-7-6-12-11-10(7)8/h1-2,5,7-8H,3-4,6H2/t7-,8-/m1/s1.
What are the key properties of (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole?
(3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole has a molecular weight of 193.27 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3aS,6S)-6-thiophen-2-yl-3a,4,5,6-tetrahydro-3H-cyclopenta[c][1,2]oxazole is sourced from PubChem (CID 100965101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).