N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide

C20H17FN4O3 — CID 166068114

IUPACN-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Nc1c(C2=NCCO2)cnn1-c1ccc(F)cc1)C(O)c1ccccc1
InChIInChI=1S/C20H17FN4O3/c21-14-6-8-15(9-7-14)25-18(16(12-23-25)20-22-10-11-28-20)24-19(27)17(26)13-4-2-1-3-5-13/h1-9,12,17,26H,10-11H2,(H,24,27)
InChIKeyQRGWJOVQVCZZKT-UHFFFAOYSA-N
MW380.38 g/mol
LogP2.46
Rot. Bonds5

About N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide

N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide (PubChem CID 166068114) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide
PubChem CID166068114
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC NameN-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide
SMILESO=C(Nc1c(C2=NCCO2)cnn1-c1ccc(F)cc1)C(O)c1ccccc1
InChIInChI=1S/C20H17FN4O3/c21-14-6-8-15(9-7-14)25-18(16(12-23-25)20-22-10-11-28-20)24-19(27)17(26)13-4-2-1-3-5-13/h1-9,12,17,26H,10-11H2,(H,24,27)
InChIKeyQRGWJOVQVCZZKT-UHFFFAOYSA-N
XLogP2.46
TPSA88.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 1-(2-hydroxy-2-phenylethyl)-5-(phenylcarbamoylamino)pyrazole-4-carboxylate
CID 16747858
Ethyl 5-[(3-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16747981
Ethyl 5-[(2-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749449
Ethyl 5-[(4-fluorophenyl)carbamoylamino]-1-(2-hydroxy-2-phenylethyl)pyrazole-4-carboxylate
CID 16749450
2-methoxy-N-(1-{1-[(3-methyl-1-propyl-1H-pyrazol-4-yl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)-2-phenylacetamide
CID 24819656
N-(4-methyl-1-phenylpyrazol-5-yl)-2-phenylmethoxyacetamide
CID 53382546
N-{1-[1-(3-fluorobenzoyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxy-2-phenylacetamide
CID 24790072
2-ethoxy-2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 47721668
Ethyl 1-(2-hydroxy-2-phenylethyl)-5-[[3-(trifluoromethyl)phenyl]carbamoylamino]pyrazole-4-carboxylate
CID 137652420
N-[1-(1-glycoloylpiperidin-4-yl)-1H-pyrazol-5-yl]-2-methoxy-2-phenylacetamide
CID 56758980
N-{1-[1-(4-fluorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxy-2-phenylacetamide
CID 45226115
N-{1-[1-(2,3-difluorobenzyl)-4-piperidinyl]-1H-pyrazol-5-yl}-2-methoxy-2-phenylacetamide
CID 45235253

Frequently Asked Questions

What is the IUPAC name of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide?
The IUPAC name of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide (CID 166068114) is N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide.
What is the SMILES notation for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide?
The canonical SMILES for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide is O=C(Nc1c(C2=NCCO2)cnn1-c1ccc(F)cc1)C(O)c1ccccc1.
What is the InChIKey of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide?
The InChIKey is QRGWJOVQVCZZKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c21-14-6-8-15(9-7-14)25-18(16(12-23-25)20-22-10-11-28-20)24-19(27)17(26)13-4-2-1-3-5-13/h1-9,12,17,26H,10-11H2,(H,24,27).
What are the key properties of N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide?
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide has a molecular weight of 380.38 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4,5-dihydro-1,3-oxazol-2-yl)-1-(4-fluorophenyl)pyrazol-5-yl]-2-hydroxy-2-phenylacetamide is sourced from PubChem (CID 166068114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).