5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

C17H16F3N5O2 — CID 146220599

IUPAC5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(Cc3cnccc3C(F)(F)F)c2)no1
InChIInChI=1S/C17H16F3N5O2/c1-10(2)15-5-14(24-27-15)16(26)23-12-7-22-25(9-12)8-11-6-21-4-3-13(11)17(18,19)20/h3-7,9-10H,8H2,1-2H3,(H,23,26)
InChIKeyWHAPXZAHAJLDEH-UHFFFAOYSA-N
MW379.34 g/mol
LogP3.71
Rot. Bonds5

About 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide

5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220599) has the molecular formula C17H16F3N5O2 and a molecular weight of 379.34 g/mol. Its IUPAC name is 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220599
Molecular FormulaC17H16F3N5O2
Molecular Weight379.34 g/mol
Exact Mass379.13
IUPAC Name5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)Nc2cnn(Cc3cnccc3C(F)(F)F)c2)no1
InChIInChI=1S/C17H16F3N5O2/c1-10(2)15-5-14(24-27-15)16(26)23-12-7-22-25(9-12)8-11-6-21-4-3-13(11)17(18,19)20/h3-7,9-10H,8H2,1-2H3,(H,23,26)
InChIKeyWHAPXZAHAJLDEH-UHFFFAOYSA-N
XLogP3.71
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
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N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
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5-Phenyl-isoxazole-3-carboxylic acid (1-isopropyl-1H-pyrazol-4-yl)-amide
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N-[1-(4-fluorobenzyl)-1H-pyrazol-4-yl]-4,5,6,7-tetrahydro-1,2-benzisoxazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 146220599) is 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is CC(C)c1cc(C(=O)Nc2cnn(Cc3cnccc3C(F)(F)F)c2)no1.
What is the InChIKey of 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is WHAPXZAHAJLDEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N5O2/c1-10(2)15-5-14(24-27-15)16(26)23-12-7-22-25(9-12)8-11-6-21-4-3-13(11)17(18,19)20/h3-7,9-10H,8H2,1-2H3,(H,23,26).
What are the key properties of 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 379.34 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-[1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).