N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C18H13FN4O2S — CID 3238351

IUPACN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H13FN4O2S/c19-13-5-3-12(4-6-13)10-23-11-14(9-20-23)21-18(24)15-8-16(25-22-15)17-2-1-7-26-17/h1-9,11H,10H2,(H,21,24)
InChIKeyWABWAHVYIZLHOP-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.04
Rot. Bonds5

About N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 3238351) has the molecular formula C18H13FN4O2S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID3238351
Molecular FormulaC18H13FN4O2S
Molecular Weight368.39 g/mol
Exact Mass368.07
IUPAC NameN-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1
InChIInChI=1S/C18H13FN4O2S/c19-13-5-3-12(4-6-13)10-23-11-14(9-20-23)21-18(24)15-8-16(25-22-15)17-2-1-7-26-17/h1-9,11H,10H2,(H,21,24)
InChIKeyWABWAHVYIZLHOP-UHFFFAOYSA-N
XLogP4.04
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 3238351) is N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is WABWAHVYIZLHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN4O2S/c19-13-5-3-12(4-6-13)10-23-11-14(9-20-23)21-18(24)15-8-16(25-22-15)17-2-1-7-26-17/h1-9,11H,10H2,(H,21,24).
What are the key properties of N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 368.39 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 3238351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).