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

C17H21ClN2O — CID 95079524

IUPAC5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@@H]2CCCN2Cc2ccccc2Cl)on1
InChIInChI=1S/C17H21ClN2O/c1-12(2)15-10-17(21-19-15)16-8-5-9-20(16)11-13-6-3-4-7-14(13)18/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3/t16-/m0/s1
InChIKeyYVYJPGHRCGDEEC-INIZCTEOSA-N
MW304.82 g/mol
LogP4.79
Rot. Bonds4

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

5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (PubChem CID 95079524) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
PubChem CID95079524
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
SMILESCC(C)c1cc([C@@H]2CCCN2Cc2ccccc2Cl)on1
InChIInChI=1S/C17H21ClN2O/c1-12(2)15-10-17(21-19-15)16-8-5-9-20(16)11-13-6-3-4-7-14(13)18/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3/t16-/m0/s1
InChIKeyYVYJPGHRCGDEEC-INIZCTEOSA-N
XLogP4.79
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 ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[(2R)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 93070281
3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079512
5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096296
2-(2-chlorophenyl)-1-[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanone
CID 50809306
5-[(2R)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079436
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 93070269
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056275
2-[(2S)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]ethanamine
CID 51619083
5-[1-[(4-butoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096313
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
2-methoxy-5-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009641

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The IUPAC name of 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole (CID 95079524) is 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole.
What is the SMILES notation for 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The canonical SMILES for 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is CC(C)c1cc([C@@H]2CCCN2Cc2ccccc2Cl)on1.
What is the InChIKey of 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
The InChIKey is YVYJPGHRCGDEEC-INIZCTEOSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12(2)15-10-17(21-19-15)16-8-5-9-20(16)11-13-6-3-4-7-14(13)18/h3-4,6-7,10,12,16H,5,8-9,11H2,1-2H3/t16-/m0/s1.
What are the key properties of 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole?
5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole has a molecular weight of 304.82 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole is sourced from PubChem (CID 95079524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).