3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

C25H28FN3O3 — CID 134036252

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ncc(-c3ccccc3F)o2)N2CCCC2)cc1
InChIInChI=1S/C25H28FN3O3/c1-31-19-10-8-18(9-11-19)22(29-14-4-5-15-29)16-27-24(30)12-13-25-28-17-23(32-25)20-6-2-3-7-21(20)26/h2-3,6-11,17,22H,4-5,12-16H2,1H3,(H,27,30)
InChIKeyNKDCEEIHODPJDL-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.38
Rot. Bonds9

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (PubChem CID 134036252) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
PubChem CID134036252
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
SMILESCOc1ccc(C(CNC(=O)CCc2ncc(-c3ccccc3F)o2)N2CCCC2)cc1
InChIInChI=1S/C25H28FN3O3/c1-31-19-10-8-18(9-11-19)22(29-14-4-5-15-29)16-27-24(30)12-13-25-28-17-23(32-25)20-6-2-3-7-21(20)26/h2-3,6-11,17,22H,4-5,12-16H2,1H3,(H,27,30)
InChIKeyNKDCEEIHODPJDL-UHFFFAOYSA-N
XLogP4.38
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 32929347
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]propanamide
CID 55887392
N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 24544215
3-[5-(2,4-difluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]propanamide
CID 60551952
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 55658747
3-(1,3-dioxoisoindol-2-yl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
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N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-phenoxyacetamide
CID 27771479
2-[[5-(2-fluorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]acetamide
CID 112777277
N-[2-(azepan-1-yl)-2-(4-methoxyphenyl)ethyl]-3-thiophen-2-ylpropanamide
CID 110301837
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]propanamide
CID 56524158
2-(4-fluorophenoxy)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
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4-amino-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]butanamide
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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide (CID 134036252) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is COc1ccc(C(CNC(=O)CCc2ncc(-c3ccccc3F)o2)N2CCCC2)cc1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
The InChIKey is NKDCEEIHODPJDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-31-19-10-8-18(9-11-19)22(29-14-4-5-15-29)16-27-24(30)12-13-25-28-17-23(32-25)20-6-2-3-7-21(20)26/h2-3,6-11,17,22H,4-5,12-16H2,1H3,(H,27,30).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide has a molecular weight of 437.52 g/mol, XLogP of 4.38, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide is sourced from PubChem (CID 134036252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).