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

C20H20FN5O4 — CID 17096064

IUPAC3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)N1CCOCC1
InChIInChI=1S/C20H20FN5O4/c1-13-10-18(23-26(13)12-19(27)25-6-8-29-9-7-25)22-20(28)17-11-16(24-30-17)14-2-4-15(21)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,22,23,28)
InChIKeyKQQKLJVVGVNIMH-UHFFFAOYSA-N
MW413.41 g/mol
LogP2.10
Rot. Bonds5

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

3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide (PubChem CID 17096064) has the molecular formula C20H20FN5O4 and a molecular weight of 413.41 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide
PubChem CID17096064
Molecular FormulaC20H20FN5O4
Molecular Weight413.41 g/mol
Exact Mass413.15
IUPAC Name3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide
SMILESCc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)N1CCOCC1
InChIInChI=1S/C20H20FN5O4/c1-13-10-18(23-26(13)12-19(27)25-6-8-29-9-7-25)22-20(28)17-11-16(24-30-17)14-2-4-15(21)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,22,23,28)
InChIKeyKQQKLJVVGVNIMH-UHFFFAOYSA-N
XLogP2.10
TPSA102.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.41
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide (CID 17096064) is 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide is Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)no2)nn1CC(=O)N1CCOCC1.
What is the InChIKey of 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
The InChIKey is KQQKLJVVGVNIMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O4/c1-13-10-18(23-26(13)12-19(27)25-6-8-29-9-7-25)22-20(28)17-11-16(24-30-17)14-2-4-15(21)5-3-14/h2-5,10-11H,6-9,12H2,1H3,(H,22,23,28).
What are the key properties of 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide?
3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide has a molecular weight of 413.41 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-N-[5-methyl-1-(2-morpholin-4-yl-2-oxoethyl)pyrazol-3-yl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17096064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).