2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol

C18H24N2O3 — CID 95079416

IUPAC2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCC[C@@H]2c2cc(CC)no2)c1O
InChIInChI=1S/C18H24N2O3/c1-3-14-11-17(23-19-14)15-8-6-10-20(15)12-13-7-5-9-16(18(13)21)22-4-2/h5,7,9,11,15,21H,3-4,6,8,10,12H2,1-2H3/t15-/m1/s1
InChIKeyJPIOEJBRLHKAQP-OAHLLOKOSA-N
MW316.40 g/mol
LogP3.68
Rot. Bonds6

About 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol

2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol (PubChem CID 95079416) has the molecular formula C18H24N2O3 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
PubChem CID95079416
Molecular FormulaC18H24N2O3
Molecular Weight316.40 g/mol
Exact Mass316.18
IUPAC Name2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
SMILESCCOc1cccc(CN2CCC[C@@H]2c2cc(CC)no2)c1O
InChIInChI=1S/C18H24N2O3/c1-3-14-11-17(23-19-14)15-8-6-10-20(15)12-13-7-5-9-16(18(13)21)22-4-2/h5,7,9,11,15,21H,3-4,6,8,10,12H2,1-2H3/t15-/m1/s1
InChIKeyJPIOEJBRLHKAQP-OAHLLOKOSA-N
XLogP3.68
TPSA58.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol 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

2-ethoxy-6-[[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 50809609
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
4-chloro-2-[[2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009626
4-bromo-2-[[(2S)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 93070226
5-[1-[(3-ethoxy-4-propan-2-yloxyphenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53009623
3-ethyl-5-[1-[(2,3,4-trimethoxyphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53096277
5-[1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 53034997
5-[(2R)-1-[(3-bromophenyl)methyl]pyrrolidin-2-yl]-3-ethyl-1,2-oxazole
CID 95056225
2-[[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol
CID 53009621
3-ethyl-5-[1-[(4-methylphenyl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 53035014
2-ethoxy-6-[[(2S)-2-thiophen-2-ylazepan-1-yl]methyl]phenol
CID 92878171

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol?
The IUPAC name of 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol (CID 95079416) is 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol.
What is the SMILES notation for 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol?
The canonical SMILES for 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol is CCOc1cccc(CN2CCC[C@@H]2c2cc(CC)no2)c1O.
What is the InChIKey of 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol?
The InChIKey is JPIOEJBRLHKAQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O3/c1-3-14-11-17(23-19-14)15-8-6-10-20(15)12-13-7-5-9-16(18(13)21)22-4-2/h5,7,9,11,15,21H,3-4,6,8,10,12H2,1-2H3/t15-/m1/s1.
What are the key properties of 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol?
2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol has a molecular weight of 316.40 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-6-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]methyl]phenol is sourced from PubChem (CID 95079416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).