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

C13H20ClNO — CID 107185054

IUPAC2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole
SMILESCC1(C)CCCC1c1cnc(CCCCl)o1
InChIInChI=1S/C13H20ClNO/c1-13(2)7-3-5-10(13)11-9-15-12(16-11)6-4-8-14/h9-10H,3-8H2,1-2H3
InChIKeyGYSMPLADOUPMMO-UHFFFAOYSA-N
MW241.76 g/mol
LogP4.14
Rot. Bonds4

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

2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole (PubChem CID 107185054) has the molecular formula C13H20ClNO and a molecular weight of 241.76 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole
PubChem CID107185054
Molecular FormulaC13H20ClNO
Molecular Weight241.76 g/mol
Exact Mass241.12
IUPAC Name2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole
SMILESCC1(C)CCCC1c1cnc(CCCCl)o1
InChIInChI=1S/C13H20ClNO/c1-13(2)7-3-5-10(13)11-9-15-12(16-11)6-4-8-14/h9-10H,3-8H2,1-2H3
InChIKeyGYSMPLADOUPMMO-UHFFFAOYSA-N
XLogP4.14
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.76
LogP ≤ 54.14
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

N-[3-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]propyl]-2-methylpropan-1-amine
CID 107185194
N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107185134
N-[2-[5-(2,2-dimethylcyclopentyl)-1,3-oxazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 107185149
N-[2-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 107185133
2-(3-chloropropyl)-5-(oxan-2-yl)-1,3-oxazole
CID 65180294
2-(3-chloropropyl)-5-(2-methyloxolan-3-yl)-1,3-oxazole
CID 79763287
2-[2-(3-chloropropyl)-1,3-oxazol-5-yl]thiane 1,1-dioxide
CID 104522599
2-(2-chloroethyl)-5-(3-methylcyclobutyl)-1,3-oxazole
CID 164660300
1-[5-(2,2-dimethylcyclohexyl)-1,3-oxazol-2-yl]-N-methylethanamine
CID 107185110
3-(5-cycloheptyl-1,3-oxazol-2-yl)propan-1-ol
CID 115034079
2-(chloromethyl)-5-(2,2-dimethylcyclopentyl)-1,3,4-oxadiazole
CID 107175983
2-(chloromethyl)-5-spiro[3.3]heptan-2-yl-1,3-oxazole
CID 164660297

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole (CID 107185054) is 2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole is CC1(C)CCCC1c1cnc(CCCCl)o1.
What is the InChIKey of 2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole?
The InChIKey is GYSMPLADOUPMMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClNO/c1-13(2)7-3-5-10(13)11-9-15-12(16-11)6-4-8-14/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole?
2-(3-chloropropyl)-5-(2,2-dimethylcyclopentyl)-1,3-oxazole has a molecular weight of 241.76 g/mol, XLogP of 4.14, 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-(2,2-dimethylcyclopentyl)-1,3-oxazole is sourced from PubChem (CID 107185054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).