4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole

C14H16N2O2 — CID 175146303

IUPAC4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole
SMILESc1ccc(OCc2conc2N2CCCC2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-6-13(7-3-1)17-10-12-11-18-15-14(12)16-8-4-5-9-16/h1-3,6-7,11H,4-5,8-10H2
InChIKeyTXQQPUZXGHRGPY-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.85
Rot. Bonds4

About 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole

4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole (PubChem CID 175146303) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole.

Molecular Properties

Compound Name4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole
PubChem CID175146303
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole
SMILESc1ccc(OCc2conc2N2CCCC2)cc1
InChIInChI=1S/C14H16N2O2/c1-2-6-13(7-3-1)17-10-12-11-18-15-14(12)16-8-4-5-9-16/h1-3,6-7,11H,4-5,8-10H2
InChIKeyTXQQPUZXGHRGPY-UHFFFAOYSA-N
XLogP2.85
TPSA38.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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3-[[2-(phenoxymethyl)phenyl]methyl]-1,3-oxazinane
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[2-(phenoxymethyl)phenyl]-pyrrolidin-1-ylmethanone
CID 78774462
N-(2-phenoxyethyl)-4-pyrrolidin-1-ylphthalazine-1-carboxamide
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2,3,7,8-tetrakis(phenoxymethyl)phenazine
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[1-(azepan-1-yl)isoquinolin-4-yl]methanol
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4-(azepan-1-yl)-2-methylquinazoline chloride
CID 53351740
(3R)-N-[[2-(phenoxymethyl)phenyl]methyl]-1-pyrazin-2-ylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole?
The IUPAC name of 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole (CID 175146303) is 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole.
What is the SMILES notation for 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole?
The canonical SMILES for 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole is c1ccc(OCc2conc2N2CCCC2)cc1.
What is the InChIKey of 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole?
The InChIKey is TXQQPUZXGHRGPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-6-13(7-3-1)17-10-12-11-18-15-14(12)16-8-4-5-9-16/h1-3,6-7,11H,4-5,8-10H2.
What are the key properties of 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole?
4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole has a molecular weight of 244.29 g/mol, XLogP of 2.85, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole is sourced from PubChem (CID 175146303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).