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

C17H21ClN2O — CID 95172453

IUPAC2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCC[C@H]2Cc2ccccc2Cl)oc1C
InChIInChI=1S/C17H21ClN2O/c1-12-13(2)21-17(19-12)11-20-9-5-7-15(20)10-14-6-3-4-8-16(14)18/h3-4,6,8,15H,5,7,9-11H2,1-2H3/t15-/m0/s1
InChIKeyOEYVADIEZSJYRJ-HNNXBMFYSA-N
MW304.82 g/mol
LogP4.15
Rot. Bonds4

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

2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 95172453) has the molecular formula C17H21ClN2O and a molecular weight of 304.82 g/mol. Its IUPAC name is 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID95172453
Molecular FormulaC17H21ClN2O
Molecular Weight304.82 g/mol
Exact Mass304.13
IUPAC Name2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(CN2CCC[C@H]2Cc2ccccc2Cl)oc1C
InChIInChI=1S/C17H21ClN2O/c1-12-13(2)21-17(19-12)11-20-9-5-7-15(20)10-14-6-3-4-8-16(14)18/h3-4,6,8,15H,5,7,9-11H2,1-2H3/t15-/m0/s1
InChIKeyOEYVADIEZSJYRJ-HNNXBMFYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]methanol
CID 47523985
3-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-5-cyclopropyl-1,2,4-oxadiazole
CID 47529696
2-[(2-chlorophenyl)methyl]-1-methylpyrrolidine
CID 23452576
1-[1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-N-methylmethanamine;hydrochloride
CID 119928352
4-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]benzonitrile
CID 52747724
2-[[(2S)-2-[(3,5-dimethylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 95350038
2-[[2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4-methylphthalazin-1-one
CID 60579385
cis-(1S,2R)-2-[(2R)-1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-2-yl]cyclohexan-1-ol
CID 129445632
1-[(1-benzylpiperidin-2-yl)methyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine
CID 109430959
N-[[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methyl]cyclopropanamine
CID 62579866
1-[(1-benzylpiperidin-2-yl)methyl]-2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethylguanidine;hydroiodide
CID 109430958
1-[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]piperidin-2-yl]ethanamine
CID 63256134

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 95172453) is 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(CN2CCC[C@H]2Cc2ccccc2Cl)oc1C.
What is the InChIKey of 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is OEYVADIEZSJYRJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21ClN2O/c1-12-13(2)21-17(19-12)11-20-9-5-7-15(20)10-14-6-3-4-8-16(14)18/h3-4,6,8,15H,5,7,9-11H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 304.82 g/mol, XLogP of 4.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-2-[(2-chlorophenyl)methyl]pyrrolidin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 95172453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).