2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole

C14H13Cl2FN2O2 — CID 66752325

IUPAC2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESFc1cc(Cl)cc(Cl)c1O[C@@H](c1ncco1)[C@H]1CCNC1
InChIInChI=1S/C14H13Cl2FN2O2/c15-9-5-10(16)13(11(17)6-9)21-12(8-1-2-18-7-8)14-19-3-4-20-14/h3-6,8,12,18H,1-2,7H2/t8-,12+/m0/s1
InChIKeyLODSDVYSSIHUAJ-QPUJVOFHSA-N
MW331.17 g/mol
LogP3.85
Rot. Bonds4

About 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole

2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (PubChem CID 66752325) has the molecular formula C14H13Cl2FN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
PubChem CID66752325
Molecular FormulaC14H13Cl2FN2O2
Molecular Weight331.17 g/mol
Exact Mass330.03
IUPAC Name2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESFc1cc(Cl)cc(Cl)c1O[C@@H](c1ncco1)[C@H]1CCNC1
InChIInChI=1S/C14H13Cl2FN2O2/c15-9-5-10(16)13(11(17)6-9)21-12(8-1-2-18-7-8)14-19-3-4-20-14/h3-6,8,12,18H,1-2,7H2/t8-,12+/m0/s1
InChIKeyLODSDVYSSIHUAJ-QPUJVOFHSA-N
XLogP3.85
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-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

2-[(S)-(2,6-dichloro-4-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752892
2-[(2,6-dichloro-3,5-difluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 87135408
2-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66753273
2-[(S)-(2,6-dichloro-4-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752344
2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752169
2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752243
3-[(S)-(4-chloro-2,6-difluorophenoxy)-pyrrolidin-3-ylmethyl]pyridine
CID 66752357
2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752330
2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752695
2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752882
2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752684
3-[(R)-(2,6-dichloro-4-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-5-fluoropyridine
CID 66752522

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (CID 66752325) is 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is Fc1cc(Cl)cc(Cl)c1O[C@@H](c1ncco1)[C@H]1CCNC1.
What is the InChIKey of 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The InChIKey is LODSDVYSSIHUAJ-QPUJVOFHSA-N. The full InChI is InChI=1S/C14H13Cl2FN2O2/c15-9-5-10(16)13(11(17)6-9)21-12(8-1-2-18-7-8)14-19-3-4-20-14/h3-6,8,12,18H,1-2,7H2/t8-,12+/m0/s1.
What are the key properties of 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole has a molecular weight of 331.17 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 66752325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).