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

C15H18ClNO — CID 65180237

IUPAC2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
SMILESClCCCc1ncc(CCCc2ccccc2)o1
InChIInChI=1S/C15H18ClNO/c16-11-5-10-15-17-12-14(18-15)9-4-8-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKeyCRUVZSVLJHUOOE-UHFFFAOYSA-N
MW263.77 g/mol
LogP4.02
Rot. Bonds7

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

2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole (PubChem CID 65180237) has the molecular formula C15H18ClNO and a molecular weight of 263.77 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
PubChem CID65180237
Molecular FormulaC15H18ClNO
Molecular Weight263.77 g/mol
Exact Mass263.11
IUPAC Name2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole
SMILESClCCCc1ncc(CCCc2ccccc2)o1
InChIInChI=1S/C15H18ClNO/c16-11-5-10-15-17-12-14(18-15)9-4-8-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKeyCRUVZSVLJHUOOE-UHFFFAOYSA-N
XLogP4.02
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.77
LogP ≤ 54.02
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

[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methanamine
CID 65180073
N-[3-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]propyl]cyclopropanamine
CID 65187240
2-methyl-N-[[5-(3-phenylpropyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184071
2-[5-(2-phenylethyl)-1,3-oxazol-2-yl]ethanamine
CID 65178534
2-(1-chloroethyl)-5-(3-phenylpropyl)-1,3-oxazole
CID 65180038
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
3-(5-benzyl-1,3-oxazol-2-yl)propan-1-amine
CID 115004084
1-[5-(3-phenylpropyl)-1,3-oxazol-2-yl]ethanamine
CID 65179120
2,5-dipentyl-1,3-oxazole
CID 67264472
2-(3-chloropropyl)-5-[2-(2,2-difluoroethoxy)ethyl]-1,3-oxazole
CID 103213141
4-chlorobutylbenzene;ethane
CID 142108519
1,4-bis(3-phenylpropyl)benzene
CID 59467322

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole (CID 65180237) is 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole is ClCCCc1ncc(CCCc2ccccc2)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole?
The InChIKey is CRUVZSVLJHUOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO/c16-11-5-10-15-17-12-14(18-15)9-4-8-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2.
What are the key properties of 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole?
2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole has a molecular weight of 263.77 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(3-phenylpropyl)-1,3-oxazole is sourced from PubChem (CID 65180237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).