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

C18H19FN4O2 — CID 75370539

IUPACN-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NCCc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H19FN4O2/c1-12(2)17-16(21-11-25-17)18(24)20-8-6-14-7-9-23(22-14)15-5-3-4-13(19)10-15/h3-5,7,9-12H,6,8H2,1-2H3,(H,20,24)
InChIKeyWCJKDDAFTXCFBT-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.10
Rot. Bonds6

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

N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (PubChem CID 75370539) has the molecular formula C18H19FN4O2 and a molecular weight of 342.37 g/mol. Its IUPAC name is N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
PubChem CID75370539
Molecular FormulaC18H19FN4O2
Molecular Weight342.37 g/mol
Exact Mass342.15
IUPAC NameN-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide
SMILESCC(C)c1ocnc1C(=O)NCCc1ccn(-c2cccc(F)c2)n1
InChIInChI=1S/C18H19FN4O2/c1-12(2)17-16(21-11-25-17)18(24)20-8-6-14-7-9-23(22-14)15-5-3-4-13(19)10-15/h3-5,7,9-12H,6,8H2,1-2H3,(H,20,24)
InChIKeyWCJKDDAFTXCFBT-UHFFFAOYSA-N
XLogP3.10
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide (CID 75370539) is N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is CC(C)c1ocnc1C(=O)NCCc1ccn(-c2cccc(F)c2)n1.
What is the InChIKey of N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
The InChIKey is WCJKDDAFTXCFBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O2/c1-12(2)17-16(21-11-25-17)18(24)20-8-6-14-7-9-23(22-14)15-5-3-4-13(19)10-15/h3-5,7,9-12H,6,8H2,1-2H3,(H,20,24).
What are the key properties of N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide?
N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide has a molecular weight of 342.37 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(3-fluorophenyl)pyrazol-3-yl]ethyl]-5-propan-2-yl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 75370539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).