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

C13H12ClNO2 — CID 54141260

IUPAC[2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
SMILESCc1oc(C=Cc2ccc(Cl)cc2)nc1CO
InChIInChI=1S/C13H12ClNO2/c1-9-12(8-16)15-13(17-9)7-4-10-2-5-11(14)6-3-10/h2-7,16H,8H2,1H3
InChIKeyOBGPWONUDVNFMS-UHFFFAOYSA-N
MW249.70 g/mol
LogP3.30
Rot. Bonds3

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

[2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol (PubChem CID 54141260) has the molecular formula C13H12ClNO2 and a molecular weight of 249.70 g/mol. Its IUPAC name is [2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol.

Molecular Properties

Compound Name[2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
PubChem CID54141260
Molecular FormulaC13H12ClNO2
Molecular Weight249.70 g/mol
Exact Mass249.06
IUPAC Name[2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
SMILESCc1oc(C=Cc2ccc(Cl)cc2)nc1CO
InChIInChI=1S/C13H12ClNO2/c1-9-12(8-16)15-13(17-9)7-4-10-2-5-11(14)6-3-10/h2-7,16H,8H2,1H3
InChIKeyOBGPWONUDVNFMS-UHFFFAOYSA-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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Related Compounds

[2-[(E)-2-(3-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol
CID 13282931
[5-methyl-2-[2-[3-(trifluoromethyl)phenyl]ethenyl]-1,3-oxazol-4-yl]methanol
CID 54227597
[2-[(E)-2-(4-chlorophenyl)ethenyl]-1,3-benzoxazol-5-yl]methanol
CID 82357890
[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
CID 59594761
5-(chloromethyl)-4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazole;methane;[4-(methoxymethyl)-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1,3-oxazol-5-yl]methanol
CID 159858636
2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 22933228
ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 102525602
1-chloro-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 20730510
2,4,6-tris[(E)-2-(4-chlorophenyl)ethenyl]-1,3,5-triazine
CID 6434075
5-[2-(4-chlorophenyl)ethenyl]-3H-1,3,4-oxadiazol-2-one
CID 69481262
5-[(E)-2-(4-chlorophenyl)ethenyl]-2,3-dimethylfuran
CID 102491221
4-[(E)-2-(4-chlorophenyl)ethenyl]phenol
CID 5376643

Frequently Asked Questions

What is the IUPAC name of [2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol?
The IUPAC name of [2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol (CID 54141260) is [2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol.
What is the SMILES notation for [2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol?
The canonical SMILES for [2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol is Cc1oc(C=Cc2ccc(Cl)cc2)nc1CO.
What is the InChIKey of [2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol?
The InChIKey is OBGPWONUDVNFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClNO2/c1-9-12(8-16)15-13(17-9)7-4-10-2-5-11(14)6-3-10/h2-7,16H,8H2,1H3.
What are the key properties of [2-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol?
[2-[2-(4-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-[2-(4-chlorophenyl)ethenyl]-5-methyl-1,3-oxazol-4-yl]methanol is sourced from PubChem (CID 54141260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).