1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol

C13H15NO2 — CID 117309438

IUPAC1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol
SMILESCC1COC(c2ccc(C3(O)CC3)cc2)=N1
InChIInChI=1S/C13H15NO2/c1-9-8-16-12(14-9)10-2-4-11(5-3-10)13(15)6-7-13/h2-5,9,15H,6-8H2,1H3
InChIKeyOTQFSJMITZKOIN-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.83
Rot. Bonds2

About 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol

1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol (PubChem CID 117309438) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol.

Molecular Properties

Compound Name1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol
PubChem CID117309438
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol
SMILESCC1COC(c2ccc(C3(O)CC3)cc2)=N1
InChIInChI=1S/C13H15NO2/c1-9-8-16-12(14-9)10-2-4-11(5-3-10)13(15)6-7-13/h2-5,9,15H,6-8H2,1H3
InChIKeyOTQFSJMITZKOIN-UHFFFAOYSA-N
XLogP1.83
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol?
The IUPAC name of 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol (CID 117309438) is 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol.
What is the SMILES notation for 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol?
The canonical SMILES for 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol is CC1COC(c2ccc(C3(O)CC3)cc2)=N1.
What is the InChIKey of 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol?
The InChIKey is OTQFSJMITZKOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-9-8-16-12(14-9)10-2-4-11(5-3-10)13(15)6-7-13/h2-5,9,15H,6-8H2,1H3.
What are the key properties of 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol?
1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol has a molecular weight of 217.27 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]cyclopropan-1-ol is sourced from PubChem (CID 117309438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).