N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide

C17H17FN4O3 — CID 42215285

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2coc(COc3cccc(F)c3)n2)cn1
InChIInChI=1S/C17H17FN4O3/c1-2-22-9-12(8-20-22)7-19-17(23)15-10-25-16(21-15)11-24-14-5-3-4-13(18)6-14/h3-6,8-10H,2,7,11H2,1H3,(H,19,23)
InChIKeyLSYXJJWNGKVEOY-UHFFFAOYSA-N
MW344.35 g/mol
LogP2.54
Rot. Bonds7

About N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide

N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 42215285) has the molecular formula C17H17FN4O3 and a molecular weight of 344.35 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
PubChem CID42215285
Molecular FormulaC17H17FN4O3
Molecular Weight344.35 g/mol
Exact Mass344.13
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
SMILESCCn1cc(CNC(=O)c2coc(COc3cccc(F)c3)n2)cn1
InChIInChI=1S/C17H17FN4O3/c1-2-22-9-12(8-20-22)7-19-17(23)15-10-25-16(21-15)11-24-14-5-3-4-13(18)6-14/h3-6,8-10H,2,7,11H2,1H3,(H,19,23)
InChIKeyLSYXJJWNGKVEOY-UHFFFAOYSA-N
XLogP2.54
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.35
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethyl-3,5-dimethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26399205
N-[(3-fluorophenyl)methyl]-2-[(4-methoxyphenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26392971
2-[(3-fluorophenoxy)methyl]-N-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxamide
CID 26331295
N,N-diethyl-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide
CID 26403838
2-[(3-fluorophenoxy)methyl]-N-[[(2S)-1-methylpiperidin-2-yl]methyl]-1,3-oxazole-4-carboxamide
CID 26411631
N-[(1-ethylpyrazol-4-yl)methyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467233
2-[(3-methoxyphenoxy)methyl]-N-[(4-methylphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 26403419
5-[(4-chloro-3-methylphenoxy)methyl]-N-[(1-ethylpyrazol-4-yl)methyl]furan-2-carboxamide
CID 19417001
N-[(4-fluorophenyl)methyl]-2-[[(1R)-1-(3-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-oxazole-4-carboxamide
CID 98365919
N-[(3-fluorophenyl)methyl]-2-[[1-(4-fluorophenyl)-2-propanoyl-3,4-dihydro-1H-isoquinolin-7-yl]oxymethyl]-1,3-oxazole-4-carboxamide
CID 46059044
2-[(7-methoxynaphthalen-2-yl)oxymethyl]-N-(pyridin-3-ylmethyl)-1,3-oxazole-4-carboxamide
CID 42595551
2-[(3-fluorophenoxy)methyl]-N-[(3R,4R)-4-hydroxy-1-propan-2-ylpyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 133131779

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide (CID 42215285) is N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide is CCn1cc(CNC(=O)c2coc(COc3cccc(F)c3)n2)cn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LSYXJJWNGKVEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3/c1-2-22-9-12(8-20-22)7-19-17(23)15-10-25-16(21-15)11-24-14-5-3-4-13(18)6-14/h3-6,8-10H,2,7,11H2,1H3,(H,19,23).
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide?
N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 344.35 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-[(3-fluorophenoxy)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 42215285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).