1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol

C13H14ClNO2 — CID 115086793

IUPAC1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C13H14ClNO2/c1-9(16)6-11-8-15-13(17-11)7-10-4-2-3-5-12(10)14/h2-5,8-9,16H,6-7H2,1H3
InChIKeySRUNUIGCIYTABE-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.84
Rot. Bonds4

About 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol

1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol (PubChem CID 115086793) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol.

Molecular Properties

Compound Name1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
PubChem CID115086793
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
SMILESCC(O)Cc1cnc(Cc2ccccc2Cl)o1
InChIInChI=1S/C13H14ClNO2/c1-9(16)6-11-8-15-13(17-11)7-10-4-2-3-5-12(10)14/h2-5,8-9,16H,6-7H2,1H3
InChIKeySRUNUIGCIYTABE-UHFFFAOYSA-N
XLogP2.84
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]acetaldehyde
CID 115086804
1-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091470
1-[2-(5-chlorofuran-2-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115086467
[2-[(2-methylphenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086764
2-[[5-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115086774
1-[2-(3-chlorophenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087110
1-[2-(5-chlorothiophen-2-yl)-1,3-oxazol-5-yl]propan-2-ol
CID 115086475
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115083926
1-[2-[(2-hydroxyphenyl)methyl]-1,3-oxazol-5-yl]propan-2-one
CID 115086811
1-[2-(4-methylphenyl)-1,3-oxazol-5-yl]propan-2-ol
CID 115087326
[2-[(2-fluorophenyl)methyl]-1,3-oxazol-5-yl]methanol
CID 115086766
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349638

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol?
The IUPAC name of 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol (CID 115086793) is 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol.
What is the SMILES notation for 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol?
The canonical SMILES for 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol is CC(O)Cc1cnc(Cc2ccccc2Cl)o1.
What is the InChIKey of 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol?
The InChIKey is SRUNUIGCIYTABE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-9(16)6-11-8-15-13(17-11)7-10-4-2-3-5-12(10)14/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol?
1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol has a molecular weight of 251.71 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol is sourced from PubChem (CID 115086793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).