N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide

C24H25F2N3O3 — CID 46932141

IUPACN-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1-c1cc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)no1
InChIInChI=1S/C24H25F2N3O3/c1-15(30)28-10-8-16-4-2-3-5-18(16)23-13-22(29-32-23)19-14-27-11-9-24(19,31)17-6-7-20(25)21(26)12-17/h2-7,12-13,19,27,31H,8-11,14H2,1H3,(H,28,30)/t19-,24+/m1/s1
InChIKeyPNONWZINZRBQGI-DVECYGJZSA-N
MW441.48 g/mol
LogP3.26
Rot. Bonds6

About N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide

N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide (PubChem CID 46932141) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide
PubChem CID46932141
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC NameN-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide
SMILESCC(=O)NCCc1ccccc1-c1cc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)no1
InChIInChI=1S/C24H25F2N3O3/c1-15(30)28-10-8-16-4-2-3-5-18(16)23-13-22(29-32-23)19-14-27-11-9-24(19,31)17-6-7-20(25)21(26)12-17/h2-7,12-13,19,27,31H,8-11,14H2,1H3,(H,28,30)/t19-,24+/m1/s1
InChIKeyPNONWZINZRBQGI-DVECYGJZSA-N
XLogP3.26
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide?
The IUPAC name of N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide (CID 46932141) is N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide?
The canonical SMILES for N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide is CC(=O)NCCc1ccccc1-c1cc([C@H]2CNCC[C@]2(O)c2ccc(F)c(F)c2)no1.
What is the InChIKey of N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide?
The InChIKey is PNONWZINZRBQGI-DVECYGJZSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c1-15(30)28-10-8-16-4-2-3-5-18(16)23-13-22(29-32-23)19-14-27-11-9-24(19,31)17-6-7-20(25)21(26)12-17/h2-7,12-13,19,27,31H,8-11,14H2,1H3,(H,28,30)/t19-,24+/m1/s1.
What are the key properties of N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide?
N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide has a molecular weight of 441.48 g/mol, XLogP of 3.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[3-[(3R,4R)-4-(3,4-difluorophenyl)-4-hydroxypiperidin-3-yl]-1,2-oxazol-5-yl]phenyl]ethyl]acetamide is sourced from PubChem (CID 46932141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).