4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole

C17H21ClN2O — CID 92732718

IUPAC4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-3-16-17(12(2)19-21-16)15-9-6-10-20(15)11-13-7-4-5-8-14(13)18/h4-5,7-8,15H,3,6,9-11H2,1-2H3/t15-/m0/s1
InChIKeyAJPLNYVDTAHJJP-HNNXBMFYSA-N
MW304.82 g/mol
LogP4.54
Rot. Bonds4

About 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole

4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (PubChem CID 92732718) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
PubChem CID92732718
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
SMILESCCc1onc(C)c1[C@@H]1CCCN1Cc1ccccc1Cl
InChIInChI=1S/C17H21ClN2O/c1-3-16-17(12(2)19-21-16)15-9-6-10-20(15)11-13-7-4-5-8-14(13)18/h4-5,7-8,15H,3,6,9-11H2,1-2H3/t15-/m0/s1
InChIKeyAJPLNYVDTAHJJP-HNNXBMFYSA-N
XLogP4.54
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808835
4-[1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808958
5-ethyl-4-[(2S)-1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 92732606
5-ethyl-4-[1-[(1-ethylindol-3-yl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 50808983
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92503026
4-[1-[(3,5-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole
CID 50808669
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622
5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079524
[5-(2-chlorophenyl)-1,2-oxazol-3-yl]-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92893801
(2-chloro-6-fluorophenyl)-[(2S)-2-(5-ethyl-3-methyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]methanone
CID 92877766
3,5-dimethyl-4-[(2R)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92732490

Frequently Asked Questions

What is the IUPAC name of 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The IUPAC name of 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole (CID 92732718) is 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole.
What is the SMILES notation for 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The canonical SMILES for 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is CCc1onc(C)c1[C@@H]1CCCN1Cc1ccccc1Cl.
What is the InChIKey of 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
The InChIKey is AJPLNYVDTAHJJP-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-3-16-17(12(2)19-21-16)15-9-6-10-20(15)11-13-7-4-5-8-14(13)18/h4-5,7-8,15H,3,6,9-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole?
4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole has a molecular weight of 304.82 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-5-ethyl-3-methyl-1,2-oxazole is sourced from PubChem (CID 92732718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).