N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

C25H28FN3O3 — CID 86965315

IUPACN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NC3CCCN(c4cc(C)ccc4F)C3)o2)cc1
InChIInChI=1S/C25H28FN3O3/c1-17-5-10-21(26)22(14-17)29-13-3-4-19(16-29)28-24(30)11-12-25-27-15-23(32-25)18-6-8-20(31-2)9-7-18/h5-10,14-15,19H,3-4,11-13,16H2,1-2H3,(H,28,30)
InChIKeyMXICHEGXBOJIMT-UHFFFAOYSA-N
MW437.52 g/mol
LogP4.52
Rot. Bonds7

About N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 86965315) has the molecular formula C25H28FN3O3 and a molecular weight of 437.52 g/mol. Its IUPAC name is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID86965315
Molecular FormulaC25H28FN3O3
Molecular Weight437.52 g/mol
Exact Mass437.21
IUPAC NameN-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NC3CCCN(c4cc(C)ccc4F)C3)o2)cc1
InChIInChI=1S/C25H28FN3O3/c1-17-5-10-21(26)22(14-17)29-13-3-4-19(16-29)28-24(30)11-12-25-27-15-23(32-25)18-6-8-20(31-2)9-7-18/h5-10,14-15,19H,3-4,11-13,16H2,1-2H3,(H,28,30)
InChIKeyMXICHEGXBOJIMT-UHFFFAOYSA-N
XLogP4.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-[3-(4-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]acetamide
CID 86966242
3-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]propanamide
CID 86965296
N-(4-hydroxycyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 110882855
N-[3-fluoro-4-(2-oxopyrrolidin-1-yl)phenyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86939628
N-[(3R)-1-cycloheptylpyrrolidin-3-yl]-3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]propanamide
CID 95733913
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-1-[4-(4-methylphenyl)-1,4-diazepan-1-yl]propan-1-one
CID 86867799
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-2-(3-fluorophenyl)acetamide
CID 86965219
2-[4-[[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]carbamoylamino]piperidin-1-yl]-N-methylacetamide
CID 86966890
(7-methoxynaphthalen-2-yl) 3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanoate
CID 134011939
N-(3,5-dimethoxyphenyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 17422470
N-[2-(cyclopropylamino)-2-oxoethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 18163915
N-(2-methylcyclohexyl)-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 24640348

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (CID 86965315) is N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is COc1ccc(-c2cnc(CCC(=O)NC3CCCN(c4cc(C)ccc4F)C3)o2)cc1.
What is the InChIKey of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is MXICHEGXBOJIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28FN3O3/c1-17-5-10-21(26)22(14-17)29-13-3-4-19(16-29)28-24(30)11-12-25-27-15-23(32-25)18-6-8-20(31-2)9-7-18/h5-10,14-15,19H,3-4,11-13,16H2,1-2H3,(H,28,30).
What are the key properties of N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 437.52 g/mol, XLogP of 4.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-5-methylphenyl)piperidin-3-yl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 86965315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).