5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride

C15H19ClN2O3 — CID 155565755

IUPAC5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(OCc2cc(OC[C@H]3CCCN3)no2)cc1
InChIInChI=1S/C15H18N2O3.ClH/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12;/h1-3,6-7,9,12,16H,4-5,8,10-11H2;1H/t12-;/m1./s1
InChIKeyIPNGOPWQJVNQKV-UTONKHPSSA-N
MW310.78 g/mol
LogP2.81
Rot. Bonds6

About 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride

5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride (PubChem CID 155565755) has the molecular formula C15H19ClN2O3 and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride.

Molecular Properties

Compound Name5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride
PubChem CID155565755
Molecular FormulaC15H19ClN2O3
Molecular Weight310.78 g/mol
Exact Mass310.11
IUPAC Name5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride
SMILESCl.c1ccc(OCc2cc(OC[C@H]3CCCN3)no2)cc1
InChIInChI=1S/C15H18N2O3.ClH/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12;/h1-3,6-7,9,12,16H,4-5,8,10-11H2;1H/t12-;/m1./s1
InChIKeyIPNGOPWQJVNQKV-UTONKHPSSA-N
XLogP2.81
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[[5-[(3-chlorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride
CID 155514271
N-[2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]ethyl]-N-methylcyclohexanamine;hydrochloride
CID 155535240
N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclopentanamine;hydrochloride
CID 155548634
5-[(3-fluorophenoxy)methyl]-3-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride
CID 155549356
N-(cyclopropylmethyl)-N-methyl-2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
CID 155550042
N-methyl-N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclohexanamine;hydrochloride
CID 155559835
N-(cyclopropylmethyl)-2-[[5-[(3-fluorophenoxy)methyl]-1,2-oxazol-3-yl]oxy]-N-methylethanamine;hydrochloride
CID 155569700
N-[2-[[5-(phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethyl]cyclobutanamine
CID 162645680
5-(phenoxymethyl)-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole
CID 71452172
3-[[(2S)-azetidin-2-yl]methoxy]-5-(phenoxymethyl)-1,2-oxazole
CID 56949640
2-[[5-(Phenoxymethyl)-1,2-oxazol-3-yl]oxy]ethanamine;hydrochloride
CID 155510440
5-[(3-methylphenoxy)methyl]-3-[[(2S)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride
CID 155519057

Frequently Asked Questions

What is the IUPAC name of 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride?
The IUPAC name of 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride (CID 155565755) is 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride.
What is the SMILES notation for 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride?
The canonical SMILES for 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride is Cl.c1ccc(OCc2cc(OC[C@H]3CCCN3)no2)cc1.
What is the InChIKey of 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride?
The InChIKey is IPNGOPWQJVNQKV-UTONKHPSSA-N. The full InChI is InChI=1S/C15H18N2O3.ClH/c1-2-6-13(7-3-1)18-11-14-9-15(17-20-14)19-10-12-5-4-8-16-12;/h1-3,6-7,9,12,16H,4-5,8,10-11H2;1H/t12-;/m1./s1.
What are the key properties of 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride?
5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride has a molecular weight of 310.78 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(phenoxymethyl)-3-[[(2R)-pyrrolidin-2-yl]methoxy]-1,2-oxazole;hydrochloride is sourced from PubChem (CID 155565755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).