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

C15H18N2O3 — CID 66752882

IUPAC2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESCOc1ccccc1OC(c1ncco1)[C@H]1CCNC1
InChIInChI=1S/C15H18N2O3/c1-18-12-4-2-3-5-13(12)20-14(11-6-7-16-10-11)15-17-8-9-19-15/h2-5,8-9,11,14,16H,6-7,10H2,1H3/t11-,14?/m0/s1
InChIKeyJQSOIXQFXFXWNR-ZSOXZCCMSA-N
MW274.32 g/mol
LogP2.41
Rot. Bonds5

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

2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (PubChem CID 66752882) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
PubChem CID66752882
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESCOc1ccccc1OC(c1ncco1)[C@H]1CCNC1
InChIInChI=1S/C15H18N2O3/c1-18-12-4-2-3-5-13(12)20-14(11-6-7-16-10-11)15-17-8-9-19-15/h2-5,8-9,11,14,16H,6-7,10H2,1H3/t11-,14?/m0/s1
InChIKeyJQSOIXQFXFXWNR-ZSOXZCCMSA-N
XLogP2.41
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752684
2-[(2-phenylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752960
2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 77226019
2-[(S)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752695
2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752243
2-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66753273
3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 46946421
2-[(S)-(3-chlorophenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752169
2-[(S)-(2,6-dichloro-4-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752344
2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752330
2-[(S)-(2-ethoxyphenoxy)-(1,3-oxazol-2-yl)methyl]morpholine
CID 68542656
2-[(2,6-dichloro-3,5-difluorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 87135408

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (CID 66752882) is 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is COc1ccccc1OC(c1ncco1)[C@H]1CCNC1.
What is the InChIKey of 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The InChIKey is JQSOIXQFXFXWNR-ZSOXZCCMSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-18-12-4-2-3-5-13(12)20-14(11-6-7-16-10-11)15-17-8-9-19-15/h2-5,8-9,11,14,16H,6-7,10H2,1H3/t11-,14?/m0/s1.
What are the key properties of 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole has a molecular weight of 274.32 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 66752882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).