N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C16H14FN5O2 — CID 11823605

IUPACN-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(c2ccc(-n3cc(C#N)cn3)c(F)c2)=NO1
InChIInChI=1S/C16H14FN5O2/c1-10(23)19-8-13-5-15(21-24-13)12-2-3-16(14(17)4-12)22-9-11(6-18)7-20-22/h2-4,7,9,13H,5,8H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyUWMHBGRYDVPKHJ-CYBMUJFWSA-N
MW327.32 g/mol
LogP1.51
Rot. Bonds4

About N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 11823605) has the molecular formula C16H14FN5O2 and a molecular weight of 327.32 g/mol. Its IUPAC name is N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID11823605
Molecular FormulaC16H14FN5O2
Molecular Weight327.32 g/mol
Exact Mass327.11
IUPAC NameN-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(c2ccc(-n3cc(C#N)cn3)c(F)c2)=NO1
InChIInChI=1S/C16H14FN5O2/c1-10(23)19-8-13-5-15(21-24-13)12-2-3-16(14(17)4-12)22-9-11(6-18)7-20-22/h2-4,7,9,13H,5,8H2,1H3,(H,19,23)/t13-/m1/s1
InChIKeyUWMHBGRYDVPKHJ-CYBMUJFWSA-N
XLogP1.51
TPSA92.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.32
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 10337481
N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 10924643
N-[[(5R)-3-[4-(3-cyanopyrrol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 11001923
N-[[(5R)-3-(3-fluoro-4-pyrrol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
CID 11055722
3-(1-ethyl-3-methylpyrazol-4-yl)-N-(4-ethylphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 6623120
N-(2,4-difluorophenyl)-3-(1-ethyl-3-methyl-1H-pyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 17095978
N-[(2S,3R)-1-(3,5-difluorophenyl)-3-hydroxy-4-[[(1S)-1-(3-pyrazol-1-ylphenyl)cyclohex-2-en-1-yl]amino]butan-2-yl]acetamide
CID 70789283
[(5R)-3-(3-fluoro-4-pyrazol-1-yl-phenyl)-4,5-dihydroisoxazol-5-yl]methylcarbamic acid
CID 476923
[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluoro-phenyl]-4,5-dihydroisoxazol-5-yl]methylcarbamic acid
CID 476924
N-[[(5S)-3-[3-fluoro-4-(1-methylpyrazol-3-yl)phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 476930
N-[[(5S)-3-[4-[1-(2-cyanoethyl)pyrazol-3-yl]-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 476932
N-[[(5S)-3-[4-[1-(cyanomethyl)pyrazol-3-yl]-3-fluoro-phenyl]-2-oxo-oxazolidin-5-yl]methyl]acetamide
CID 476933

Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 11823605) is N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CC(c2ccc(-n3cc(C#N)cn3)c(F)c2)=NO1.
What is the InChIKey of N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is UWMHBGRYDVPKHJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H14FN5O2/c1-10(23)19-8-13-5-15(21-24-13)12-2-3-16(14(17)4-12)22-9-11(6-18)7-20-22/h2-4,7,9,13H,5,8H2,1H3,(H,19,23)/t13-/m1/s1.
What are the key properties of N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 327.32 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 11823605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).