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

C15H18N2O2 — CID 66752684

IUPAC2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESCc1ccccc1O[C@@H](c1ncco1)[C@H]1CCNC1
InChIInChI=1S/C15H18N2O2/c1-11-4-2-3-5-13(11)19-14(12-6-7-16-10-12)15-17-8-9-18-15/h2-5,8-9,12,14,16H,6-7,10H2,1H3/t12-,14+/m0/s1
InChIKeyWQTSOUIUSONWNK-GXTWGEPZSA-N
MW258.32 g/mol
LogP2.71
Rot. Bonds4

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

2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (PubChem CID 66752684) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.

Molecular Properties

Compound Name2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
PubChem CID66752684
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
SMILESCc1ccccc1O[C@@H](c1ncco1)[C@H]1CCNC1
InChIInChI=1S/C15H18N2O2/c1-11-4-2-3-5-13(11)19-14(12-6-7-16-10-12)15-17-8-9-18-15/h2-5,8-9,12,14,16H,6-7,10H2,1H3/t12-,14+/m0/s1
InChIKeyWQTSOUIUSONWNK-GXTWGEPZSA-N
XLogP2.71
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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)-(3-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66752695
2-[(2-phenylmethoxyphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 77226019
2-[(2,3-dichlorophenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752243
(3S)-3-[(R)-(2-methylphenoxy)-phenylmethyl]pyrrolidine
CID 71562371
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-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752330
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

Frequently Asked Questions

What is the IUPAC name of 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The IUPAC name of 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole (CID 66752684) is 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole.
What is the SMILES notation for 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The canonical SMILES for 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is Cc1ccccc1O[C@@H](c1ncco1)[C@H]1CCNC1.
What is the InChIKey of 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
The InChIKey is WQTSOUIUSONWNK-GXTWGEPZSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-11-4-2-3-5-13(11)19-14(12-6-7-16-10-12)15-17-8-9-18-15/h2-5,8-9,12,14,16H,6-7,10H2,1H3/t12-,14+/m0/s1.
What are the key properties of 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole?
2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole has a molecular weight of 258.32 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole is sourced from PubChem (CID 66752684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).