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

C20H16FN5O2 — CID 148670172

IUPAC5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccncc1Cn1cc(NC(=O)c2cc(-c3ccccc3F)on2)cn1
InChIInChI=1S/C20H16FN5O2/c1-13-6-7-22-9-14(13)11-26-12-15(10-23-26)24-20(27)18-8-19(28-25-18)16-4-2-3-5-17(16)21/h2-10,12H,11H2,1H3,(H,24,27)
InChIKeyNPNXAVQHCBVOML-UHFFFAOYSA-N
MW377.38 g/mol
LogP3.68
Rot. Bonds5

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

5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 148670172) has the molecular formula C20H16FN5O2 and a molecular weight of 377.38 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID148670172
Molecular FormulaC20H16FN5O2
Molecular Weight377.38 g/mol
Exact Mass377.13
IUPAC Name5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESCc1ccncc1Cn1cc(NC(=O)c2cc(-c3ccccc3F)on2)cn1
InChIInChI=1S/C20H16FN5O2/c1-13-6-7-22-9-14(13)11-26-12-15(10-23-26)24-20(27)18-8-19(28-25-18)16-4-2-3-5-17(16)21/h2-10,12H,11H2,1H3,(H,24,27)
InChIKeyNPNXAVQHCBVOML-UHFFFAOYSA-N
XLogP3.68
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-N-(2-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973877
N-(2-chloropyridin-3-yl)-5-(4-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 3586460
5-cyclopropyl-N-[1-(2-methylbenzyl)-1H-pyrazol-4-yl]isoxazole-3-carboxamide
CID 16188847
5-phenyl-N-(3-pyridinylmethyl)-3-isoxazolecarboxamide
CID 973868
N-[1-(1-adamantyl)-1H-pyrazol-4-yl]-5-phenyl-3-isoxazolecarboxamide
CID 2962287
US10889564, Example 13
CID 26396555
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-5-ethyl-3-isoxazolecarboxamide
CID 44182100
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-2-phenylacetamide
CID 57422266
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-3-phenylpropanamide
CID 57944900
N-(1-((3,5-dimethylisoxazol-4-yl)methyl)-1H-pyrazol-4-yl)picolinamide
CID 57944963
N-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-4-phenylbutanamide
CID 57944991
(3S,6R)-4-[5-(4-fluorophenyl)isoxazole-3-carbonyl]-3-isobutyl-6-(1H-pyrrol-2-yl)piperazin-2-one
CID 68158217

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 148670172) is 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is Cc1ccncc1Cn1cc(NC(=O)c2cc(-c3ccccc3F)on2)cn1.
What is the InChIKey of 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is NPNXAVQHCBVOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2/c1-13-6-7-22-9-14(13)11-26-12-15(10-23-26)24-20(27)18-8-19(28-25-18)16-4-2-3-5-17(16)21/h2-10,12H,11H2,1H3,(H,24,27).
What are the key properties of 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 3.68, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-N-[1-[(4-methyl-3-pyridinyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 148670172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).