N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide

C19H18FN5O4 — CID 171354000

IUPACN-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN5O4/c20-12-3-1-11(2-4-12)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(21)26)13-5-7-28-8-6-13/h1-4,9-10,13H,5-8H2,(H2,21,26)(H,22,27)
InChIKeyJQEOOJUFYJLQHN-UHFFFAOYSA-N
MW399.38 g/mol
LogP2.38
Rot. Bonds5

About N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide

N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (PubChem CID 171354000) has the molecular formula C19H18FN5O4 and a molecular weight of 399.38 g/mol. Its IUPAC name is N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
PubChem CID171354000
Molecular FormulaC19H18FN5O4
Molecular Weight399.38 g/mol
Exact Mass399.13
IUPAC NameN-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
SMILESNC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1coc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H18FN5O4/c20-12-3-1-11(2-4-12)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(21)26)13-5-7-28-8-6-13/h1-4,9-10,13H,5-8H2,(H2,21,26)(H,22,27)
InChIKeyJQEOOJUFYJLQHN-UHFFFAOYSA-N
XLogP2.38
TPSA125.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.38
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide (CID 171354000) is N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is NC(=O)c1nn(C2CCOCC2)cc1NC(=O)c1coc(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is JQEOOJUFYJLQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5O4/c20-12-3-1-11(2-4-12)19-23-15(10-29-19)18(27)22-14-9-25(24-16(14)17(21)26)13-5-7-28-8-6-13/h1-4,9-10,13H,5-8H2,(H2,21,26)(H,22,27).
What are the key properties of N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide?
N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 399.38 g/mol, XLogP of 2.38, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-carbamoyl-1-(oxan-4-yl)pyrazol-4-yl]-2-(4-fluorophenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 171354000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).