2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole

C18H18N2O3 — CID 68999250

IUPAC2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(OC[C@H]4CCCN4)cc3)nc2c1
InChIInChI=1S/C18H18N2O3/c1-2-6-17-16(5-1)20-18(23-17)22-15-9-7-14(8-10-15)21-12-13-4-3-11-19-13/h1-2,5-10,13,19H,3-4,11-12H2/t13-/m1/s1
InChIKeyMRLYZGRNOOKRHD-CYBMUJFWSA-N
MW310.35 g/mol
LogP3.75
Rot. Bonds5

About 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole

2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole (PubChem CID 68999250) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
PubChem CID68999250
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Name2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole
SMILESc1ccc2oc(Oc3ccc(OC[C@H]4CCCN4)cc3)nc2c1
InChIInChI=1S/C18H18N2O3/c1-2-6-17-16(5-1)20-18(23-17)22-15-9-7-14(8-10-15)21-12-13-4-3-11-19-13/h1-2,5-10,13,19H,3-4,11-12H2/t13-/m1/s1
InChIKeyMRLYZGRNOOKRHD-CYBMUJFWSA-N
XLogP3.75
TPSA56.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyrrolidin-2-ylmethoxy)-1,3-benzoxazole;hydrochloride
CID 71636950
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-1,3-benzoxazole
CID 155662899
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]pyridine
CID 58852476
2-(phenoxymethyl)pyrrolidine;hydrochloride
CID 67802747
2-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-N-(cyclohexylmethyl)ethanamine
CID 67302482
2-(pyrrolidin-2-ylmethyl)-1,3-benzoxazole
CID 61372127
2-[[4-(4-methylphenoxy)phenoxy]methyl]pyrrolidine;hydrochloride
CID 69002051
2-[[(3R)-piperidin-3-yl]methoxy]-1,3-benzoxazole
CID 94407294
4-[4-(1,3-benzoxazol-2-yloxy)phenoxy]-2-cyclopropylbutan-1-amine
CID 91530142
5-nitro-2-[[(2R)-pyrrolidin-2-yl]methoxy]-1,3-benzoxazole
CID 97177921
(2R)-2-(naphthalen-2-yloxymethyl)piperidine
CID 26192553
2-[[4-[4-(trifluoromethyl)phenoxy]phenoxy]methyl]pyrrolidine;hydrochloride
CID 69001620

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole?
The IUPAC name of 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole (CID 68999250) is 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole is c1ccc2oc(Oc3ccc(OC[C@H]4CCCN4)cc3)nc2c1.
What is the InChIKey of 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole?
The InChIKey is MRLYZGRNOOKRHD-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-2-6-17-16(5-1)20-18(23-17)22-15-9-7-14(8-10-15)21-12-13-4-3-11-19-13/h1-2,5-10,13,19H,3-4,11-12H2/t13-/m1/s1.
What are the key properties of 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole?
2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole has a molecular weight of 310.35 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[(2R)-pyrrolidin-2-yl]methoxy]phenoxy]-1,3-benzoxazole is sourced from PubChem (CID 68999250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).