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

C12H12ClNO — CID 10353470

IUPAC2-(3-chloropropyl)-5-phenyl-1,3-oxazole
SMILESClCCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C12H12ClNO/c13-8-4-7-12-14-9-11(15-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKeyWQRIJGJOONZBJI-UHFFFAOYSA-N
MW221.69 g/mol
LogP3.51
Rot. Bonds4

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

2-(3-chloropropyl)-5-phenyl-1,3-oxazole (PubChem CID 10353470) has the molecular formula C12H12ClNO and a molecular weight of 221.69 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-phenyl-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-phenyl-1,3-oxazole
PubChem CID10353470
Molecular FormulaC12H12ClNO
Molecular Weight221.69 g/mol
Exact Mass221.06
IUPAC Name2-(3-chloropropyl)-5-phenyl-1,3-oxazole
SMILESClCCCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C12H12ClNO/c13-8-4-7-12-14-9-11(15-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2
InChIKeyWQRIJGJOONZBJI-UHFFFAOYSA-N
XLogP3.51
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(3-chloropropyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 65180183
2-(3-chloropropyl)-5-(furan-2-yl)-1,3-oxazole
CID 65179426
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
CID 65179365
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
2-(3-chloropropyl)-5-(2-methoxyphenyl)-1,3-oxazole
CID 65180005
2-(5-phenyl-1,3-oxazol-2-yl)acetonitrile
CID 12639620
2-(3-chloropropyl)-5-(3,4-diethoxyphenyl)-1,3-oxazole
CID 65179824
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propan-1-ol
CID 115042364
2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180237
2-(2-chloroethyl)-5-(4-ethylphenyl)-1,3-oxazole
CID 43144322
N-methyl-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 51311777
3-[2-hydroxyethyl-[(5-phenyl-1,3-oxazol-2-yl)methyl]amino]propan-1-ol
CID 111112523

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-phenyl-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-phenyl-1,3-oxazole (CID 10353470) is 2-(3-chloropropyl)-5-phenyl-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-phenyl-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-phenyl-1,3-oxazole is ClCCCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-phenyl-1,3-oxazole?
The InChIKey is WQRIJGJOONZBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO/c13-8-4-7-12-14-9-11(15-12)10-5-2-1-3-6-10/h1-3,5-6,9H,4,7-8H2.
What are the key properties of 2-(3-chloropropyl)-5-phenyl-1,3-oxazole?
2-(3-chloropropyl)-5-phenyl-1,3-oxazole has a molecular weight of 221.69 g/mol, XLogP of 3.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-phenyl-1,3-oxazole is sourced from PubChem (CID 10353470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).