5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole

C15H17ClN2O2 — CID 77226042

IUPAC5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
SMILESCc1cc(Cl)ccc1OC(c1cnco1)C1CCNC1
InChIInChI=1S/C15H17ClN2O2/c1-10-6-12(16)2-3-13(10)20-15(11-4-5-17-7-11)14-8-18-9-19-14/h2-3,6,8-9,11,15,17H,4-5,7H2,1H3
InChIKeyBYBDENAKPJUFAE-UHFFFAOYSA-N
MW292.77 g/mol
LogP3.37
Rot. Bonds4

About 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole

5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole (PubChem CID 77226042) has the molecular formula C15H17ClN2O2 and a molecular weight of 292.77 g/mol. Its IUPAC name is 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
PubChem CID77226042
Molecular FormulaC15H17ClN2O2
Molecular Weight292.77 g/mol
Exact Mass292.10
IUPAC Name5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
SMILESCc1cc(Cl)ccc1OC(c1cnco1)C1CCNC1
InChIInChI=1S/C15H17ClN2O2/c1-10-6-12(16)2-3-13(10)20-15(11-4-5-17-7-11)14-8-18-9-19-14/h2-3,6,8-9,11,15,17H,4-5,7H2,1H3
InChIKeyBYBDENAKPJUFAE-UHFFFAOYSA-N
XLogP3.37
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.77
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]pyrimidine
CID 77226148
(3S)-3-[(1S)-1-(4-chloro-2-methylphenoxy)propyl]pyrrolidine
CID 66890259
2-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole
CID 66753273
3-[(S)-(4-chloro-2-fluorophenoxy)-pyrrolidin-3-ylmethyl]-5-fluoropyridine
CID 66752232
3-[(4-chloro-2-fluorophenoxy)-phenylmethyl]pyrrolidine
CID 75057732
2-[(S)-(4-chloro-2-cyclohexylphenoxy)-[(3R)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752330
2-[(R)-(2-methylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]-1,3-oxazole
CID 66752684
3-chloro-5-[(R)-(4-chloro-2,6-dimethylphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 66752698
methyl 5-chloro-2-[(5-fluoro-3-pyridinyl)-[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 66752125
5-chloro-3-methyl-2-[(R)-phenyl-[(3S)-pyrrolidin-3-yl]methoxy]pyridine
CID 59544002
3-[(1S)-1-(4-chloro-2-fluorophenoxy)propyl]pyrrolidine
CID 66891945
3-chloro-5-[(S)-(2-methoxyphenoxy)-[(3S)-pyrrolidin-3-yl]methyl]pyridine
CID 46946421

Frequently Asked Questions

What is the IUPAC name of 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The IUPAC name of 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole (CID 77226042) is 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The canonical SMILES for 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole is Cc1cc(Cl)ccc1OC(c1cnco1)C1CCNC1.
What is the InChIKey of 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
The InChIKey is BYBDENAKPJUFAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2/c1-10-6-12(16)2-3-13(10)20-15(11-4-5-17-7-11)14-8-18-9-19-14/h2-3,6,8-9,11,15,17H,4-5,7H2,1H3.
What are the key properties of 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole?
5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole has a molecular weight of 292.77 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chloro-2-methylphenoxy)-pyrrolidin-3-ylmethyl]-1,3-oxazole is sourced from PubChem (CID 77226042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).