[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol

C13H12ClNO2 — CID 13282931

IUPAC[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
SMILESCc1oc(/C=C/c2cccc(Cl)c2)nc1CO
InChIInChI=1S/C13H12ClNO2/c1-9-12(8-16)15-13(17-9)6-5-10-3-2-4-11(14)7-10/h2-7,16H,8H2,1H3/b6-5+
InChIKeyUTYRBZUWOBBSTE-AATRIKPKSA-N
MW249.70 g/mol
LogP3.30
Rot. Bonds3

About [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol

[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol (PubChem CID 13282931) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
PubChem CID13282931
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
SMILESCc1oc(/C=C/c2cccc(Cl)c2)nc1CO
InChIInChI=1S/C13H12ClNO2/c1-9-12(8-16)15-13(17-9)6-5-10-3-2-4-11(14)7-10/h2-7,16H,8H2,1H3/b6-5+
InChIKeyUTYRBZUWOBBSTE-AATRIKPKSA-N
XLogP3.30
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol (CID 13282931) is [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol is Cc1oc(/C=C/c2cccc(Cl)c2)nc1CO.
What is the InChIKey of [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol?
The InChIKey is UTYRBZUWOBBSTE-AATRIKPKSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9-12(8-16)15-13(17-9)6-5-10-3-2-4-11(14)7-10/h2-7,16H,8H2,1H3/b6-5+.
What are the key properties of [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol?
[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol has a molecular weight of 249.70 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 13282931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).