N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

C21H18FN5O3 — CID 24817788

IUPACN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3cnn(-c4cccc(F)c4)c3)no2)cn1
InChIInChI=1S/C21H18FN5O3/c1-14-5-6-18(11-23-14)29-13-19-8-20(26-30-19)21(28)24-9-15-10-25-27(12-15)17-4-2-3-16(22)7-17/h2-8,10-12H,9,13H2,1H3,(H,24,28)
InChIKeyJQAJVBXMVQJQCE-UHFFFAOYSA-N
MW407.41 g/mol
LogP3.21
Rot. Bonds7

About N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide

N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (PubChem CID 24817788) has the molecular formula C21H18FN5O3 and a molecular weight of 407.41 g/mol. Its IUPAC name is N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
PubChem CID24817788
Molecular FormulaC21H18FN5O3
Molecular Weight407.41 g/mol
Exact Mass407.14
IUPAC NameN-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide
SMILESCc1ccc(OCc2cc(C(=O)NCc3cnn(-c4cccc(F)c4)c3)no2)cn1
InChIInChI=1S/C21H18FN5O3/c1-14-5-6-18(11-23-14)29-13-19-8-20(26-30-19)21(28)24-9-15-10-25-27(12-15)17-4-2-3-16(22)7-17/h2-8,10-12H,9,13H2,1H3,(H,24,28)
InChIKeyJQAJVBXMVQJQCE-UHFFFAOYSA-N
XLogP3.21
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.41
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide (CID 24817788) is N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is Cc1ccc(OCc2cc(C(=O)NCc3cnn(-c4cccc(F)c4)c3)no2)cn1.
What is the InChIKey of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is JQAJVBXMVQJQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O3/c1-14-5-6-18(11-23-14)29-13-19-8-20(26-30-19)21(28)24-9-15-10-25-27(12-15)17-4-2-3-16(22)7-17/h2-8,10-12H,9,13H2,1H3,(H,24,28).
What are the key properties of N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide?
N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 407.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-fluorophenyl)pyrazol-4-yl]methyl]-5-[(6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 24817788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).