(2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol

C17H21ClN2O3 — CID 100837019

IUPAC(2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1cc([C@@H]2CCCN2C[C@@H](O)COc2ccc(Cl)cc2)on1
InChIInChI=1S/C17H21ClN2O3/c1-12-9-17(23-19-12)16-3-2-8-20(16)10-14(21)11-22-15-6-4-13(18)5-7-15/h4-7,9,14,16,21H,2-3,8,10-11H2,1H3/t14-,16+/m1/s1
InChIKeyCRBLUBNRZRQVDI-ZBFHGGJFSA-N
MW336.82 g/mol
LogP3.21
Rot. Bonds6

About (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol

(2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol (PubChem CID 100837019) has the molecular formula C17H21ClN2O3 and a molecular weight of 336.82 g/mol. Its IUPAC name is (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name(2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol
PubChem CID100837019
Molecular FormulaC17H21ClN2O3
Molecular Weight336.82 g/mol
Exact Mass336.12
IUPAC Name(2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol
SMILESCc1cc([C@@H]2CCCN2C[C@@H](O)COc2ccc(Cl)cc2)on1
InChIInChI=1S/C17H21ClN2O3/c1-12-9-17(23-19-12)16-3-2-8-20(16)10-14(21)11-22-15-6-4-13(18)5-7-15/h4-7,9,14,16,21H,2-3,8,10-11H2,1H3/t14-,16+/m1/s1
InChIKeyCRBLUBNRZRQVDI-ZBFHGGJFSA-N
XLogP3.21
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.82
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-5-[(2S)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95056192
4-[(2S)-2-hydroxy-3-[(2R)-2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 97211601
(2S)-1-(4-methylphenoxy)-3-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 95610213
4-[3-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propoxy]benzonitrile
CID 56815237
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol;hydrochloride
CID 44782330
1-(4-chlorophenoxy)-3-[2-(hydroxymethyl)piperidin-1-yl]propan-2-ol chloride
CID 21236718
(2R)-1-(4-fluorophenoxy)-3-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 100843621
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528
(7aR)-2-[(2S)-3-(4-chlorophenoxy)-2-hydroxypropyl]-5,6,7,7a-tetrahydropyrrolo[1,2-c]imidazole-1,3-dione
CID 92806988
1-(4-methoxyphenoxy)-3-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propan-2-ol
CID 56825195

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol?
The IUPAC name of (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol (CID 100837019) is (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol.
What is the SMILES notation for (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol?
The canonical SMILES for (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol is Cc1cc([C@@H]2CCCN2C[C@@H](O)COc2ccc(Cl)cc2)on1.
What is the InChIKey of (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol?
The InChIKey is CRBLUBNRZRQVDI-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H21ClN2O3/c1-12-9-17(23-19-12)16-3-2-8-20(16)10-14(21)11-22-15-6-4-13(18)5-7-15/h4-7,9,14,16,21H,2-3,8,10-11H2,1H3/t14-,16+/m1/s1.
What are the key properties of (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol?
(2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol has a molecular weight of 336.82 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-chlorophenoxy)-3-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]propan-2-ol is sourced from PubChem (CID 100837019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).