5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

C20H28N2O3 — CID 95056191

IUPAC5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCOc1cc(CN2CCC[C@@H]2c2cc(C)no2)ccc1OCC(C)C
InChIInChI=1S/C20H28N2O3/c1-14(2)13-24-18-8-7-16(11-20(18)23-4)12-22-9-5-6-17(22)19-10-15(3)21-25-19/h7-8,10-11,14,17H,5-6,9,12-13H2,1-4H3/t17-/m1/s1
InChIKeyXCMSCXOPYMDAOL-QGZVFWFLSA-N
MW344.46 g/mol
LogP4.36
Rot. Bonds7

About 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole

5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (PubChem CID 95056191) has the molecular formula C20H28N2O3 and a molecular weight of 344.46 g/mol. Its IUPAC name is 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
PubChem CID95056191
Molecular FormulaC20H28N2O3
Molecular Weight344.46 g/mol
Exact Mass344.21
IUPAC Name5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
SMILESCOc1cc(CN2CCC[C@@H]2c2cc(C)no2)ccc1OCC(C)C
InChIInChI=1S/C20H28N2O3/c1-14(2)13-24-18-8-7-16(11-20(18)23-4)12-22-9-5-6-17(22)19-10-15(3)21-25-19/h7-8,10-11,14,17H,5-6,9,12-13H2,1-4H3/t17-/m1/s1
InChIKeyXCMSCXOPYMDAOL-QGZVFWFLSA-N
XLogP4.36
TPSA47.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2S)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079498
3-ethyl-5-[1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53096286
3-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-5-propan-2-yl-1,2-oxazole
CID 92732388
5-[(2R)-1-[(4-ethoxy-3-methoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056291
3-methyl-5-[(2S)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95079360
5-[(2R)-1-[(3-ethoxy-4-propoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 93070186
5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096311
3-methyl-5-[(2S)-1-[(4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 95056192
2-methoxy-5-[[2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009641
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
3-methyl-5-[(2R)-1-[(3-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415401
3-methyl-5-[(2S)-1-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 94415528

Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole (CID 95056191) is 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is COc1cc(CN2CCC[C@@H]2c2cc(C)no2)ccc1OCC(C)C.
What is the InChIKey of 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
The InChIKey is XCMSCXOPYMDAOL-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N2O3/c1-14(2)13-24-18-8-7-16(11-20(18)23-4)12-22-9-5-6-17(22)19-10-15(3)21-25-19/h7-8,10-11,14,17H,5-6,9,12-13H2,1-4H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole?
5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole has a molecular weight of 344.46 g/mol, XLogP of 4.36, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-1-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 95056191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).