3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

C25H28FN3O2 — CID 38740723

IUPAC3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C25H28FN3O2/c26-22-11-5-4-10-21(22)23-17-28-25(31-23)13-12-24(30)27-16-19-8-2-3-9-20(19)18-29-14-6-1-7-15-29/h2-5,8-11,17H,1,6-7,12-16,18H2,(H,27,30)
InChIKeyMRBLHXMDTBNOCD-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.72
Rot. Bonds8

About 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (PubChem CID 38740723) has the molecular formula C25H28FN3O2 and a molecular weight of 421.52 g/mol. Its IUPAC name is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.

Molecular Properties

Compound Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
PubChem CID38740723
Molecular FormulaC25H28FN3O2
Molecular Weight421.52 g/mol
Exact Mass421.22
IUPAC Name3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
SMILESO=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccccc1CN1CCCCC1
InChIInChI=1S/C25H28FN3O2/c26-22-11-5-4-10-21(22)23-17-28-25(31-23)13-12-24(30)27-16-19-8-2-3-9-20(19)18-29-14-6-1-7-15-29/h2-5,8-11,17H,1,6-7,12-16,18H2,(H,27,30)
InChIKeyMRBLHXMDTBNOCD-UHFFFAOYSA-N
XLogP4.72
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]propanamide
CID 38530556
3-(2-fluorophenyl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 31644779
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-(2-piperazin-1-ylethyl)propanamide
CID 119446701
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[(2-methyl-1,3-thiazol-5-yl)methyl]propanamide
CID 86836130
2-(2-fluorophenyl)-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]acetamide
CID 8810729
N-[(2-fluorophenyl)methyl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 17493813
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 134036129
N-cyclopropyl-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 18136486
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N',N'-diphenylpropanehydrazide
CID 16590817
2-[4-[3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanoyl]piperazin-1-yl]-N-methylacetamide
CID 134011866
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]propanamide
CID 134036431
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 16600622

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The IUPAC name of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide (CID 38740723) is 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide.
What is the SMILES notation for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The canonical SMILES for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is O=C(CCc1ncc(-c2ccccc2F)o1)NCc1ccccc1CN1CCCCC1.
What is the InChIKey of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
The InChIKey is MRBLHXMDTBNOCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O2/c26-22-11-5-4-10-21(22)23-17-28-25(31-23)13-12-24(30)27-16-19-8-2-3-9-20(19)18-29-14-6-1-7-15-29/h2-5,8-11,17H,1,6-7,12-16,18H2,(H,27,30).
What are the key properties of 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide?
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide has a molecular weight of 421.52 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]propanamide is sourced from PubChem (CID 38740723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).