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

C20H19FN4O2 — CID 146220662

IUPAC5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(C2=CCCCC2)on1
InChIInChI=1S/C20H19FN4O2/c21-16-8-4-5-14(9-16)12-25-13-17(11-22-25)23-20(26)18-10-19(27-24-18)15-6-2-1-3-7-15/h4-6,8-11,13H,1-3,7,12H2,(H,23,26)
InChIKeyGQRXCEDYPSPQRL-UHFFFAOYSA-N
MW366.40 g/mol
LogP4.27
Rot. Bonds5

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

5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (PubChem CID 146220662) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
PubChem CID146220662
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC Name5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
SMILESO=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(C2=CCCCC2)on1
InChIInChI=1S/C20H19FN4O2/c21-16-8-4-5-14(9-16)12-25-13-17(11-22-25)23-20(26)18-10-19(27-24-18)15-6-2-1-3-7-15/h4-6,8-11,13H,1-3,7,12H2,(H,23,26)
InChIKeyGQRXCEDYPSPQRL-UHFFFAOYSA-N
XLogP4.27
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 156596090
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-(3-fluoro-2-pyridinyl)-1,2-oxazole-3-carboxamide
CID 146220549
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-5-prop-1-en-2-yl-1,2-oxazole-3-carboxamide
CID 146220506
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
5-ethenyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide;5-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide
CID 159900997
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]-5-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 146220578
4-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475123
1-ethyl-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]pyrazole-3-carboxamide
CID 19262297
4-chloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1-methylpyrazole-5-carboxamide
CID 19475916
2,3-dichloro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336536
2-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]carbamoyl]benzoic acid
CID 39853418
3-bromo-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19336537

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide (CID 146220662) is 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is O=C(Nc1cnn(Cc2cccc(F)c2)c1)c1cc(C2=CCCCC2)on1.
What is the InChIKey of 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is GQRXCEDYPSPQRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-16-8-4-5-14(9-16)12-25-13-17(11-22-25)23-20(26)18-10-19(27-24-18)15-6-2-1-3-7-15/h4-6,8-11,13H,1-3,7,12H2,(H,23,26).
What are the key properties of 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide?
5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 4.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexen-1-yl)-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 146220662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).