1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone

C21H20N2O3 — CID 122489307

IUPAC1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1oc(C2CCNC2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3/c1-14(24)20-19(23-21(26-20)16-11-12-22-13-16)15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16,22H,11-13H2,1H3
InChIKeyIWPSOUNFQNFZQU-UHFFFAOYSA-N
MW348.40 g/mol
LogP4.41
Rot. Bonds5

About 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone

1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone (PubChem CID 122489307) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone
PubChem CID122489307
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC Name1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone
SMILESCC(=O)c1oc(C2CCNC2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C21H20N2O3/c1-14(24)20-19(23-21(26-20)16-11-12-22-13-16)15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16,22H,11-13H2,1H3
InChIKeyIWPSOUNFQNFZQU-UHFFFAOYSA-N
XLogP4.41
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

ethane;4-(4-phenoxyphenyl)-2-piperidin-4-yl-1,3-thiazole-5-carboxylic acid
CID 144819259
6-(3,3-dimethylpiperidin-4-yl)-2-(4-phenoxyphenyl)pyridine-3-carboxamide
CID 170639757
2-(azetidin-3-yl)-5-methyl-4-phenyl-1,3-oxazole
CID 105467712
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
5-(4-fluorophenyl)-4-(4-methoxyphenyl)-2-piperidin-4-yl-1,3-oxazole
CID 59486762
4-[3-(4-phenoxyphenyl)-1H-pyrazol-5-yl]piperidine
CID 11301624
4-(4-methoxyphenyl)-5-[4-(2-phenylmethoxyethoxy)phenyl]-2-piperidin-4-yl-1,3-oxazole
CID 59486937
methyl 4-[5-[(3S)-pyrrolidin-3-yl]-1,2,4-oxadiazol-3-yl]benzoate;hydrochloride
CID 120841376
7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
CID 172718042
4-phenoxy-N-[(3R,4R)-4-(4-phenylphenyl)piperidin-3-yl]benzamide
CID 25115052
[2-(4-phenyl-5-propan-2-yl-1,3-oxazol-2-yl)pyrrolidin-1-yl]-pyrrolidin-3-ylmethanone
CID 119892311
N-[4-(4-phenoxyphenyl)-1,3-thiazol-2-yl]piperidine-4-carboxamide
CID 87406747

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone?
The IUPAC name of 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone (CID 122489307) is 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone.
What is the SMILES notation for 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone?
The canonical SMILES for 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone is CC(=O)c1oc(C2CCNC2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone?
The InChIKey is IWPSOUNFQNFZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-14(24)20-19(23-21(26-20)16-11-12-22-13-16)15-7-9-18(10-8-15)25-17-5-3-2-4-6-17/h2-10,16,22H,11-13H2,1H3.
What are the key properties of 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone?
1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone has a molecular weight of 348.40 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenoxyphenyl)-2-pyrrolidin-3-yl-1,3-oxazol-5-yl]ethanone is sourced from PubChem (CID 122489307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).