2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole

C17H15ClN2O2 — CID 133406479

IUPAC2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole
SMILESClc1cccc(OC2CCN(c3nc4ccccc4o3)C2)c1
InChIInChI=1S/C17H15ClN2O2/c18-12-4-3-5-13(10-12)21-14-8-9-20(11-14)17-19-15-6-1-2-7-16(15)22-17/h1-7,10,14H,8-9,11H2
InChIKeyGNOZBASWSRZTOO-UHFFFAOYSA-N
MW314.77 g/mol
LogP4.14
Rot. Bonds3

About 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole

2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole (PubChem CID 133406479) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole
PubChem CID133406479
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole
SMILESClc1cccc(OC2CCN(c3nc4ccccc4o3)C2)c1
InChIInChI=1S/C17H15ClN2O2/c18-12-4-3-5-13(10-12)21-14-8-9-20(11-14)17-19-15-6-1-2-7-16(15)22-17/h1-7,10,14H,8-9,11H2
InChIKeyGNOZBASWSRZTOO-UHFFFAOYSA-N
XLogP4.14
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-phenoxypiperidin-1-yl)-1,3-benzoxazole
CID 155569925
2-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1,3-benzoxazole
CID 71891792
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 133406433
6-[1-(1,3-benzoxazol-2-yl)piperidin-4-yl]oxy-5-chloropyran-2-one
CID 123798896
1-(6-chloro-1,3-benzoxazol-2-yl)pyrrolidin-3-amine
CID 83842622
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-cyclopropyl-1,3,4-thiadiazole
CID 133406355
4-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133462129
[1-(1,3-benzoxazol-2-yl)pyrrolidin-3-yl]methanol
CID 62371883
6-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406496
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 133406478
2-tert-butyl-5-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3,4-thiadiazole
CID 133406440
7-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 133406480

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole (CID 133406479) is 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole is Clc1cccc(OC2CCN(c3nc4ccccc4o3)C2)c1.
What is the InChIKey of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole?
The InChIKey is GNOZBASWSRZTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-12-4-3-5-13(10-12)21-14-8-9-20(11-14)17-19-15-6-1-2-7-16(15)22-17/h1-7,10,14H,8-9,11H2.
What are the key properties of 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole?
2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole has a molecular weight of 314.77 g/mol, XLogP of 4.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-chlorophenoxy)pyrrolidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 133406479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).