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

C20H28N2O2 — CID 95079512

IUPAC3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCC(C)Oc1ccccc1CN1CCC[C@H]1c1cc(C(C)C)no1
InChIInChI=1S/C20H28N2O2/c1-14(2)17-12-20(24-21-17)18-9-7-11-22(18)13-16-8-5-6-10-19(16)23-15(3)4/h5-6,8,10,12,14-15,18H,7,9,11,13H2,1-4H3/t18-/m0/s1
InChIKeyRUKFMSZHDHMDLE-SFHVURJKSA-N
MW328.46 g/mol
LogP4.92
Rot. Bonds6

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

3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole (PubChem CID 95079512) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole.

Molecular Properties

Compound Name3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
PubChem CID95079512
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
SMILESCC(C)Oc1ccccc1CN1CCC[C@H]1c1cc(C(C)C)no1
InChIInChI=1S/C20H28N2O2/c1-14(2)17-12-20(24-21-17)18-9-7-11-22(18)13-16-8-5-6-10-19(16)23-15(3)4/h5-6,8,10,12,14-15,18H,7,9,11,13H2,1-4H3/t18-/m0/s1
InChIKeyRUKFMSZHDHMDLE-SFHVURJKSA-N
XLogP4.92
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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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
5-[(2S)-1-[(2-chlorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079524
5-[1-[(3-methoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096311
5-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95056275
5-[(2R)-1-[(2,4-difluorophenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 93070269
5-[1-[(2,4-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 53096296
3,5-dimethyl-4-[(2R)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92732490
3-[1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-5-propyl-1,2-oxazole
CID 50809397
5-[(2R)-1-[(2,5-dimethylphenyl)methyl]pyrrolidin-2-yl]-3-propan-2-yl-1,2-oxazole
CID 95079436
5-[(2S)-1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 95056201
5-[1-[(2-ethoxyphenyl)methyl]pyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 53034979
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 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The IUPAC name of 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole (CID 95079512) is 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole.
What is the SMILES notation for 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The canonical SMILES for 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole is CC(C)Oc1ccccc1CN1CCC[C@H]1c1cc(C(C)C)no1.
What is the InChIKey of 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
The InChIKey is RUKFMSZHDHMDLE-SFHVURJKSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-14(2)17-12-20(24-21-17)18-9-7-11-22(18)13-16-8-5-6-10-19(16)23-15(3)4/h5-6,8,10,12,14-15,18H,7,9,11,13H2,1-4H3/t18-/m0/s1.
What are the key properties of 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole?
3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole has a molecular weight of 328.46 g/mol, XLogP of 4.92, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-[(2S)-1-[(2-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole is sourced from PubChem (CID 95079512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).