2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole

C13H14ClNO2 — CID 43144208

IUPAC2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole
SMILESCCCOc1ccc(-c2cnc(CCl)o2)cc1
InChIInChI=1S/C13H14ClNO2/c1-2-7-16-11-5-3-10(4-6-11)12-9-15-13(8-14)17-12/h3-6,9H,2,7-8H2,1H3
InChIKeyOHCVQNKONGFWGJ-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.87
Rot. Bonds5

About 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole

2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole (PubChem CID 43144208) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole
PubChem CID43144208
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole
SMILESCCCOc1ccc(-c2cnc(CCl)o2)cc1
InChIInChI=1S/C13H14ClNO2/c1-2-7-16-11-5-3-10(4-6-11)12-9-15-13(8-14)17-12/h3-6,9H,2,7-8H2,1H3
InChIKeyOHCVQNKONGFWGJ-UHFFFAOYSA-N
XLogP3.87
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-(3-butoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 102543629
[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]methanamine
CID 65179378
5-(4-butoxyphenyl)-2-pyridin-4-yl-1,3-oxazole
CID 11779218
2-(chloromethyl)-5-(3,5-dimethylphenyl)-1,3-oxazole
CID 65179393
5-[3-[(2S)-butan-2-yl]oxyphenyl]-2-(chloromethyl)-1,3-oxazole
CID 124500413
2-[5-(4-ethoxyphenyl)-1,3-oxazol-2-yl]-N-(2-methoxyethyl)ethanamine
CID 65182714
5-(4-ethoxyphenyl)-2-methyl-1,3-oxazole
CID 166610196
2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
[5-[4-(4-methoxyphenyl)phenyl]-1,3-oxazol-2-yl]methanamine
CID 82360062
4,6-dichloro-2-(4-propoxyphenyl)pyrimidine
CID 63612097
4-(4-propoxyphenyl)-1,2-oxazole
CID 20636858
2-(chloromethyl)-5-(2,5-dimethoxyphenyl)-1,3-oxazole
CID 43144202

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole (CID 43144208) is 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole is CCCOc1ccc(-c2cnc(CCl)o2)cc1.
What is the InChIKey of 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole?
The InChIKey is OHCVQNKONGFWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-2-7-16-11-5-3-10(4-6-11)12-9-15-13(8-14)17-12/h3-6,9H,2,7-8H2,1H3.
What are the key properties of 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole?
2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole has a molecular weight of 251.71 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-5-(4-propoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 43144208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).