2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol

C11H15NO2 — CID 15780944

IUPAC2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1COC(C2C=CC=C2)=N1
InChIInChI=1S/C11H15NO2/c1-11(2,13)9-7-14-10(12-9)8-5-3-4-6-8/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1
InChIKeyDNLWTWBLVCZKCU-VIFPVBQESA-N
MW193.25 g/mol
LogP1.30
Rot. Bonds2

About 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol

2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol (PubChem CID 15780944) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol
PubChem CID15780944
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Name2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol
SMILESCC(C)(O)[C@@H]1COC(C2C=CC=C2)=N1
InChIInChI=1S/C11H15NO2/c1-11(2,13)9-7-14-10(12-9)8-5-3-4-6-8/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1
InChIKeyDNLWTWBLVCZKCU-VIFPVBQESA-N
XLogP1.30
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol?
The IUPAC name of 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol (CID 15780944) is 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol.
What is the SMILES notation for 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol?
The canonical SMILES for 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol is CC(C)(O)[C@@H]1COC(C2C=CC=C2)=N1.
What is the InChIKey of 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol?
The InChIKey is DNLWTWBLVCZKCU-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15NO2/c1-11(2,13)9-7-14-10(12-9)8-5-3-4-6-8/h3-6,8-9,13H,7H2,1-2H3/t9-/m0/s1.
What are the key properties of 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol?
2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol has a molecular weight of 193.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-2-cyclopenta-2,4-dien-1-yl-4,5-dihydro-1,3-oxazol-4-yl]propan-2-ol is sourced from PubChem (CID 15780944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).