2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole

C15H18ClNO2 — CID 65179365

IUPAC2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
SMILESCC(C)Oc1cccc(-c2cnc(CCCCl)o2)c1
InChIInChI=1S/C15H18ClNO2/c1-11(2)18-13-6-3-5-12(9-13)14-10-17-15(19-14)7-4-8-16/h3,5-6,9-11H,4,7-8H2,1-2H3
InChIKeyDVAWQQQJEFENDK-UHFFFAOYSA-N
MW279.77 g/mol
LogP4.30
Rot. Bonds6

About 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole

2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole (PubChem CID 65179365) has the molecular formula C15H18ClNO2 and a molecular weight of 279.77 g/mol. Its IUPAC name is 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole.

Molecular Properties

Compound Name2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
PubChem CID65179365
Molecular FormulaC15H18ClNO2
Molecular Weight279.77 g/mol
Exact Mass279.10
IUPAC Name2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole
SMILESCC(C)Oc1cccc(-c2cnc(CCCCl)o2)c1
InChIInChI=1S/C15H18ClNO2/c1-11(2)18-13-6-3-5-12(9-13)14-10-17-15(19-14)7-4-8-16/h3,5-6,9-11H,4,7-8H2,1-2H3
InChIKeyDVAWQQQJEFENDK-UHFFFAOYSA-N
XLogP4.30
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 54.30
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

3-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179148
N-methyl-2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65182987
N-[2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183365
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
CID 62919288
5-[3-[(2S)-butan-2-yl]oxyphenyl]-2-(chloromethyl)-1,3-oxazole
CID 124500413
N-[[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65183599
2-(3-chloropropyl)-5-phenyl-1,3-oxazole
CID 10353470
3-[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]propan-1-amine
CID 65179138
5-(3-butoxyphenyl)-2-(chloromethyl)-1,3-oxazole
CID 102543629
N-ethyl-1-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65181800
2-(3-chloropropyl)-5-(3,4-diethoxyphenyl)-1,3-oxazole
CID 65179824
N-[[5-(3-methoxyphenyl)-1,3-oxazol-2-yl]methyl]propan-2-amine
CID 65184141

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole?
The IUPAC name of 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole (CID 65179365) is 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole.
What is the SMILES notation for 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole?
The canonical SMILES for 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole is CC(C)Oc1cccc(-c2cnc(CCCCl)o2)c1.
What is the InChIKey of 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole?
The InChIKey is DVAWQQQJEFENDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClNO2/c1-11(2)18-13-6-3-5-12(9-13)14-10-17-15(19-14)7-4-8-16/h3,5-6,9-11H,4,7-8H2,1-2H3.
What are the key properties of 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole?
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole has a molecular weight of 279.77 g/mol, XLogP of 4.30, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3-oxazole is sourced from PubChem (CID 65179365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).