[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone

C14H16N2O3S — CID 124878541

IUPAC[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCCC1
InChIInChI=1S/C14H16N2O3S/c1-9(17)13-11(14(18)16-6-2-3-7-16)12(15-19-13)10-5-4-8-20-10/h4-5,8-9,17H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyZGLULSYRECRBSL-VIFPVBQESA-N
MW292.36 g/mol
LogP2.69
Rot. Bonds3

About [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone

[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 124878541) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID124878541
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
SMILESC[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCCC1
InChIInChI=1S/C14H16N2O3S/c1-9(17)13-11(14(18)16-6-2-3-7-16)12(15-19-13)10-5-4-8-20-10/h4-5,8-9,17H,2-3,6-7H2,1H3/t9-/m0/s1
InChIKeyZGLULSYRECRBSL-VIFPVBQESA-N
XLogP2.69
TPSA66.57 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone (CID 124878541) is [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone is C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCCC1.
What is the InChIKey of [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is ZGLULSYRECRBSL-VIFPVBQESA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-9(17)13-11(14(18)16-6-2-3-7-16)12(15-19-13)10-5-4-8-20-10/h4-5,8-9,17H,2-3,6-7H2,1H3/t9-/m0/s1.
What are the key properties of [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone?
[5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 292.36 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(1S)-1-hydroxyethyl]-3-thiophen-2-yl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 124878541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).