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

C16H14FN5O3 — CID 146230176

IUPAC3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C16H14FN5O3/c1-18-16(24)14-6-13(21-25-14)15(23)20-12-7-19-22(9-12)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3,(H,18,24)(H,20,23)
InChIKeyPPDVABZZSKOUIL-UHFFFAOYSA-N
MW343.32 g/mol
LogP1.67
Rot. Bonds5

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

3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide (PubChem CID 146230176) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide
PubChem CID146230176
Molecular FormulaC16H14FN5O3
Molecular Weight343.32 g/mol
Exact Mass343.11
IUPAC Name3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide
SMILESCNC(=O)c1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1
InChIInChI=1S/C16H14FN5O3/c1-18-16(24)14-6-13(21-25-14)15(23)20-12-7-19-22(9-12)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3,(H,18,24)(H,20,23)
InChIKeyPPDVABZZSKOUIL-UHFFFAOYSA-N
XLogP1.67
TPSA102.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.32
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide?
The IUPAC name of 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide (CID 146230176) is 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide?
The canonical SMILES for 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide is CNC(=O)c1cc(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)no1.
What is the InChIKey of 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide?
The InChIKey is PPDVABZZSKOUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-18-16(24)14-6-13(21-25-14)15(23)20-12-7-19-22(9-12)8-10-3-2-4-11(17)5-10/h2-7,9H,8H2,1H3,(H,18,24)(H,20,23).
What are the key properties of 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide?
3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide has a molecular weight of 343.32 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-N-methyl-1,2-oxazole-3,5-dicarboxamide is sourced from PubChem (CID 146230176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).