N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide

C22H22F2N4O3 — CID 10287978

IUPACN-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2nnco2)cc1)NC[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C22H22F2N4O3/c23-19-6-3-16(9-20(19)24)12-28-7-8-30-18(13-28)11-25-21(29)10-15-1-4-17(5-2-15)22-27-26-14-31-22/h1-6,9,14,18H,7-8,10-13H2,(H,25,29)/t18-/m0/s1
InChIKeyHQKYBTKEWNLDTE-SFHVURJKSA-N
MW428.44 g/mol
LogP2.57
Rot. Bonds7

About N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide

N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 10287978) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound NameN-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID10287978
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC NameN-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESO=C(Cc1ccc(-c2nnco2)cc1)NC[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1
InChIInChI=1S/C22H22F2N4O3/c23-19-6-3-16(9-20(19)24)12-28-7-8-30-18(13-28)11-25-21(29)10-15-1-4-17(5-2-15)22-27-26-14-31-22/h1-6,9,14,18H,7-8,10-13H2,(H,25,29)/t18-/m0/s1
InChIKeyHQKYBTKEWNLDTE-SFHVURJKSA-N
XLogP2.57
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]-N-methylbenzamide
CID 10287820
4-cyclopentylsulfanyl-N-[[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]butanamide
CID 67167812
2-[2-[[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxamide
CID 67168476
2-[2-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazole-4-carboxylic acid
CID 59009203
N-[[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[(6-oxo-1H-pyridazin-3-yl)sulfanyl]acetamide
CID 57450145
4-[2-[2-[[4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylamino]-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]benzoic acid
CID 67168631
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-(2-fluorophenyl)acetamide
CID 39472038
3-[[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]benzoic acid
CID 10237967
N-[[4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-(5-hydroxy-4-oxopyran-2-yl)acetamide
CID 142811416
3-[[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-N-ethylbenzamide
CID 10195075
N-[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methyl]-2-thiophen-2-ylacetamide
CID 142811336
5-[[[(2S)-4-[(3,4-dichlorophenyl)methyl]morpholin-2-yl]methylcarbamoylamino]methyl]-2-fluorobenzoic acid
CID 142811298

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 10287978) is N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is O=C(Cc1ccc(-c2nnco2)cc1)NC[C@H]1CN(Cc2ccc(F)c(F)c2)CCO1.
What is the InChIKey of N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is HQKYBTKEWNLDTE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c23-19-6-3-16(9-20(19)24)12-28-7-8-30-18(13-28)11-25-21(29)10-15-1-4-17(5-2-15)22-27-26-14-31-22/h1-6,9,14,18H,7-8,10-13H2,(H,25,29)/t18-/m0/s1.
What are the key properties of N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide?
N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 428.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-4-[(3,4-difluorophenyl)methyl]morpholin-2-yl]methyl]-2-[4-(1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 10287978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).