5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

C19H24N2O4 — CID 134697965

IUPAC5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCO[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C19H24N2O4/c1-13-7-16(25-20-13)9-15-11-21(12-19(15)22-2)10-14-3-4-17-18(8-14)24-6-5-23-17/h3-4,7-8,15,19H,5-6,9-12H2,1-2H3/t15-,19+/m1/s1
InChIKeyNVNMGDDPGPIUMP-BEFAXECRSA-N
MW344.41 g/mol
LogP2.44
Rot. Bonds5

About 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole

5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 134697965) has the molecular formula C19H24N2O4 and a molecular weight of 344.41 g/mol. Its IUPAC name is 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID134697965
Molecular FormulaC19H24N2O4
Molecular Weight344.41 g/mol
Exact Mass344.17
IUPAC Name5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCO[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1Cc1cc(C)no1
InChIInChI=1S/C19H24N2O4/c1-13-7-16(25-20-13)9-15-11-21(12-19(15)22-2)10-14-3-4-17-18(8-14)24-6-5-23-17/h3-4,7-8,15,19H,5-6,9-12H2,1-2H3/t15-,19+/m1/s1
InChIKeyNVNMGDDPGPIUMP-BEFAXECRSA-N
XLogP2.44
TPSA56.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.41
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole 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

5-[[(3R,4R)-1-[(3-chlorothiophen-2-yl)methyl]-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 135100667
4-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1,5-dimethylpyrrole-2-carbonitrile
CID 134699583
4-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]-1H-pyrazole-5-carboxylic acid
CID 134705193
2-[2-[[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]acetic acid
CID 134705658
N-[2-(4-chlorophenyl)ethyl]-2-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]acetamide
CID 135102122
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-(thiophen-3-ylmethyl)pyrrolidin-3-ol
CID 134700446
(3R,4R)-1-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134714536
5-[[(3R,4R)-4-methoxy-1-piperidin-4-ylpyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 134698148
(3S,4R)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]-1-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyrrolidin-3-ol
CID 134706301
(3S,4R)-1-[(3-ethenylphenyl)methyl]-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-ol
CID 134711826
1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]-2-[4-(trifluoromethyl)phenyl]ethanone
CID 135116419
(4-hydroxyphenyl)-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]methanone
CID 135113701

Frequently Asked Questions

What is the IUPAC name of 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole (CID 134697965) is 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole is CO[C@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1Cc1cc(C)no1.
What is the InChIKey of 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is NVNMGDDPGPIUMP-BEFAXECRSA-N. The full InChI is InChI=1S/C19H24N2O4/c1-13-7-16(25-20-13)9-15-11-21(12-19(15)22-2)10-14-3-4-17-18(8-14)24-6-5-23-17/h3-4,7-8,15,19H,5-6,9-12H2,1-2H3/t15-,19+/m1/s1.
What are the key properties of 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole?
5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 344.41 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3R,4R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-4-methoxypyrrolidin-3-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 134697965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).