2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole

C13H14ClNO2 — CID 65180005

IUPAC2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccccc1-c1cnc(CCCCl)o1
InChIInChI=1S/C13H14ClNO2/c1-16-11-6-3-2-5-10(11)12-9-15-13(17-12)7-4-8-14/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyFDKSSPVCHXQNRN-UHFFFAOYSA-N
MW251.71 g/mol
LogP3.52
Rot. Bonds5

About 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole

2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole (PubChem CID 65180005) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
PubChem CID65180005
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
SMILESCOc1ccccc1-c1cnc(CCCCl)o1
InChIInChI=1S/C13H14ClNO2/c1-16-11-6-3-2-5-10(11)12-9-15-13(17-12)7-4-8-14/h2-3,5-6,9H,4,7-8H2,1H3
InChIKeyFDKSSPVCHXQNRN-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
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

7-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]heptanal
CID 89098544
N-ethyl-2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182800
N-[2-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]ethyl]cyclopropanamine
CID 65182442
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
2-(azetidin-3-ylmethyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 115045283
3-[5-(2-ethoxyphenyl)-1,3-oxazol-2-yl]-N-ethylpropan-1-amine
CID 65187014
4-[(S)-[5-(2-methoxyphenyl)-1,3-oxazol-2-yl]methylsulfinyl]phenol
CID 99812055
3-[5-(4-chloro-2-methoxyphenyl)-1,3-oxazol-2-yl]-N-methylpropan-1-amine
CID 65187006
2-tert-butyl-5-(2-methoxyphenyl)-1,3-oxazole
CID 154771329
2-(3-chloropropyl)-5-(2,4-difluorophenyl)-1,3-oxazole
CID 65179486
3-[5-(5-bromo-2-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 112742085
2-(3-chloropropyl)-5-(2,5-dimethylfuran-3-yl)-1,3-oxazole
CID 65179613

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole (CID 65180005) is 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole is COc1ccccc1-c1cnc(CCCCl)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole?
The InChIKey is FDKSSPVCHXQNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO2/c1-16-11-6-3-2-5-10(11)12-9-15-13(17-12)7-4-8-14/h2-3,5-6,9H,4,7-8H2,1H3.
What are the key properties of 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole?
2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole has a molecular weight of 251.71 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole is sourced from PubChem (CID 65180005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).