2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole

C14H14Cl2N2O2 — CID 66752243

IUPAC2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESClc1cccc(OC(c2ncco2)[C@H]2CCNC2)c1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-10-2-1-3-11(12(10)16)20-13(9-4-5-17-8-9)14-18-6-7-19-14/h1-3,6-7,9,13,17H,4-5,8H2/t9-,13?/m0/s1
InChIKeyCCJONAALTPMHBC-LLTODGECSA-N
MW313.18 g/mol
LogP3.71
Rot. Bonds4

About 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole

2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (PubChem CID 66752243) has the molecular formula C14H14Cl2N2O2 and a molecular weight of 313.18 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
PubChem CID66752243
Molecular FormulaC14H14Cl2N2O2
Molecular Weight313.18 g/mol
Exact Mass312.04
IUPAC Name2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESClc1cccc(OC(c2ncco2)[C@H]2CCNC2)c1Cl
InChIInChI=1S/C14H14Cl2N2O2/c15-10-2-1-3-11(12(10)16)20-13(9-4-5-17-8-9)14-18-6-7-19-14/h1-3,6-7,9,13,17H,4-5,8H2/t9-,13?/m0/s1
InChIKeyCCJONAALTPMHBC-LLTODGECSA-N
XLogP3.71
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.18
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752695
2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752684
2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752882
2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752960
2-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66753273
2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752169
2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 77226019
2-[(S)-(2,6-dichloro-4-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752344
2-[(2,6-dichloro-3,5-difluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 87135408
2-[(S)-(2,6-dichloro-4-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752892
2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752330
2-[(R)-(2,4-dichloro-6-fluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752325

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (CID 66752243) is 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is Clc1cccc(OC(c2ncco2)[C@H]2CCNC2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The InChIKey is CCJONAALTPMHBC-LLTODGECSA-N. The full InChI is InChI=1S/C14H14Cl2N2O2/c15-10-2-1-3-11(12(10)16)20-13(9-4-5-17-8-9)14-18-6-7-19-14/h1-3,6-7,9,13,17H,4-5,8H2/t9-,13?/m0/s1.
What are the key properties of 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole has a molecular weight of 313.18 g/mol, XLogP of 3.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 66752243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).