N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

C15H15FN4O2 — CID 10924643

IUPACN-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(c2ccc(-n3cccn3)c(F)c2)=NO1
InChIInChI=1S/C15H15FN4O2/c1-10(21)17-9-12-8-14(19-22-12)11-3-4-15(13(16)7-11)20-6-2-5-18-20/h2-7,12H,8-9H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyYGBAFGIZXOOHHY-GFCCVEGCSA-N
MW302.31 g/mol
LogP1.64
Rot. Bonds4

About N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide

N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (PubChem CID 10924643) has the molecular formula C15H15FN4O2 and a molecular weight of 302.31 g/mol. Its IUPAC name is N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
PubChem CID10924643
Molecular FormulaC15H15FN4O2
Molecular Weight302.31 g/mol
Exact Mass302.12
IUPAC NameN-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CC(c2ccc(-n3cccn3)c(F)c2)=NO1
InChIInChI=1S/C15H15FN4O2/c1-10(21)17-9-12-8-14(19-22-12)11-3-4-15(13(16)7-11)20-6-2-5-18-20/h2-7,12H,8-9H2,1H3,(H,17,21)/t12-/m1/s1
InChIKeyYGBAFGIZXOOHHY-GFCCVEGCSA-N
XLogP1.64
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.31
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide (CID 10924643) is N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CC(c2ccc(-n3cccn3)c(F)c2)=NO1.
What is the InChIKey of N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
The InChIKey is YGBAFGIZXOOHHY-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H15FN4O2/c1-10(21)17-9-12-8-14(19-22-12)11-3-4-15(13(16)7-11)20-6-2-5-18-20/h2-7,12H,8-9H2,1H3,(H,17,21)/t12-/m1/s1.
What are the key properties of N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide?
N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide has a molecular weight of 302.31 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5R)-3-(3-fluoro-4-pyrazol-1-ylphenyl)-4,5-dihydro-1,2-oxazol-5-yl]methyl]acetamide is sourced from PubChem (CID 10924643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).