1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol

C16H19ClN2O2 — CID 136548249

IUPAC1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol
SMILESCCC1(O)CCN(Cc2cc(-c3ccccc3Cl)on2)C1
InChIInChI=1S/C16H19ClN2O2/c1-2-16(20)7-8-19(11-16)10-12-9-15(21-18-12)13-5-3-4-6-14(13)17/h3-6,9,20H,2,7-8,10-11H2,1H3
InChIKeyVNNOCQAWHWYXTH-UHFFFAOYSA-N
MW306.79 g/mol
LogP3.34
Rot. Bonds4

About 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol

1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol (PubChem CID 136548249) has the molecular formula C16H19ClN2O2 and a molecular weight of 306.79 g/mol. Its IUPAC name is 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol
PubChem CID136548249
Molecular FormulaC16H19ClN2O2
Molecular Weight306.79 g/mol
Exact Mass306.11
IUPAC Name1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol
SMILESCCC1(O)CCN(Cc2cc(-c3ccccc3Cl)on2)C1
InChIInChI=1S/C16H19ClN2O2/c1-2-16(20)7-8-19(11-16)10-12-9-15(21-18-12)13-5-3-4-6-14(13)17/h3-6,9,20H,2,7-8,10-11H2,1H3
InChIKeyVNNOCQAWHWYXTH-UHFFFAOYSA-N
XLogP3.34
TPSA49.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Azepan-1-yl-[5-(2,4-dichloro-phenyl)-isoxazol-3-yl]-methanone
CID 1093827
5-(2-chlorophenyl)-N-cyclohexyl-3-isoxazolecarboxamide
CID 1093865
[5-(2,4-Dichloro-phenyl)-isoxazol-3-yl]-pyrrolidin-1-yl-methanone
CID 1093829
5-(2-chlorophenyl)-N-cyclopentyl-1,2-oxazole-3-carboxamide
CID 1093861
[5-(2-Chloro-phenyl)-isoxazol-3-yl]-pyrrolidin-1-yl-methanone
CID 1093868
4-{[5-(4-Chlorophenyl)-3-isoxazolyl]methyl}morpholine
CID 1481105
[5-(4-Chlorophenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 4073195
5-(4-Chlorophenyl)isoxazol-3-yl 4-methylpiperidyl ketone
CID 15988829
N-benzyl-5-(3-chlorophenyl)-N-methyl-3-isoxazolecarboxamide
CID 15988867
Azaperhydroepinyl 5-(4-chlorophenyl)isoxazol-3-yl ketone
CID 15997090
1-{[5-(3,4-Dichlorophenyl)-3-isoxazolyl]methyl}piperidine
CID 1481099
5-(3-Chlorophenyl)isoxazol-3-yl pyrrolidinyl ketone
CID 15994762

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol?
The IUPAC name of 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol (CID 136548249) is 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol.
What is the SMILES notation for 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol?
The canonical SMILES for 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol is CCC1(O)CCN(Cc2cc(-c3ccccc3Cl)on2)C1.
What is the InChIKey of 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol?
The InChIKey is VNNOCQAWHWYXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2/c1-2-16(20)7-8-19(11-16)10-12-9-15(21-18-12)13-5-3-4-6-14(13)17/h3-6,9,20H,2,7-8,10-11H2,1H3.
What are the key properties of 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol?
1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol has a molecular weight of 306.79 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chlorophenyl)-1,2-oxazol-3-yl]methyl]-3-ethylpyrrolidin-3-ol is sourced from PubChem (CID 136548249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).