2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol

C13H14ClNO2 — CID 115083926

IUPAC2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol
SMILESCC(CO)c1coc(Cc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClNO2/c1-9(7-16)12-8-17-13(15-12)6-10-4-2-3-5-11(10)14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyGRSZOSNWENNEDR-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.01
Rot. Bonds4

About 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol

2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol (PubChem CID 115083926) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol.

Molecular Properties

Compound Name2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol
PubChem CID115083926
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol
SMILESCC(CO)c1coc(Cc2ccccc2Cl)n1
InChIInChI=1S/C13H14ClNO2/c1-9(7-16)12-8-17-13(15-12)6-10-4-2-3-5-11(10)14/h2-5,8-9,16H,6-7H2,1H3
InChIKeyGRSZOSNWENNEDR-UHFFFAOYSA-N
XLogP3.01
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 ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[4-(1-hydroxyethyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083874
1-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-5-yl]propan-2-ol
CID 115086793
2-[[4-(2-hydroxypropyl)-1,3-oxazol-2-yl]methyl]phenol
CID 115083902
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 55105696
2-[5-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]ethanamine
CID 61336070
2-[2-[(1,1-dioxothiolan-2-yl)methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115083091
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349638
(2S)-2-amino-N-[[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]-3-methylbutanamide
CID 120834323
2-[(2-chlorophenyl)methyl]-5-ethylthiophene
CID 58178507
1-[2-[(2-chlorophenyl)methyl]-1,3-thiazol-5-yl]propan-2-ol
CID 115091470
1-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-2-ol
CID 63349681
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 62854064

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol?
The IUPAC name of 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol (CID 115083926) is 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol.
What is the SMILES notation for 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol?
The canonical SMILES for 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol is CC(CO)c1coc(Cc2ccccc2Cl)n1.
What is the InChIKey of 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol?
The InChIKey is GRSZOSNWENNEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-9(7-16)12-8-17-13(15-12)6-10-4-2-3-5-11(10)14/h2-5,8-9,16H,6-7H2,1H3.
What are the key properties of 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol?
2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol has a molecular weight of 251.71 g/mol, XLogP of 3.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-chlorophenyl)methyl]-1,3-oxazol-4-yl]propan-1-ol is sourced from PubChem (CID 115083926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).