1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

C17H22FN5O3 — CID 129006008

IUPAC1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCC(C)c1noc(C(NC(=O)Nc2ccc(F)cn2)C2CCOCC2)n1
InChIInChI=1S/C17H22FN5O3/c1-10(2)15-22-16(26-23-15)14(11-5-7-25-8-6-11)21-17(24)20-13-4-3-12(18)9-19-13/h3-4,9-11,14H,5-8H2,1-2H3,(H2,19,20,21,24)
InChIKeyITZILWOKIJTEOR-UHFFFAOYSA-N
MW363.39 g/mol
LogP3.02
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea

1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (PubChem CID 129006008) has the molecular formula C17H22FN5O3 and a molecular weight of 363.39 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
PubChem CID129006008
Molecular FormulaC17H22FN5O3
Molecular Weight363.39 g/mol
Exact Mass363.17
IUPAC Name1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea
SMILESCC(C)c1noc(C(NC(=O)Nc2ccc(F)cn2)C2CCOCC2)n1
InChIInChI=1S/C17H22FN5O3/c1-10(2)15-22-16(26-23-15)14(11-5-7-25-8-6-11)21-17(24)20-13-4-3-12(18)9-19-13/h3-4,9-11,14H,5-8H2,1-2H3,(H2,19,20,21,24)
InChIKeyITZILWOKIJTEOR-UHFFFAOYSA-N
XLogP3.02
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.39
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea (CID 129006008) is 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is CC(C)c1noc(C(NC(=O)Nc2ccc(F)cn2)C2CCOCC2)n1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
The InChIKey is ITZILWOKIJTEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O3/c1-10(2)15-22-16(26-23-15)14(11-5-7-25-8-6-11)21-17(24)20-13-4-3-12(18)9-19-13/h3-4,9-11,14H,5-8H2,1-2H3,(H2,19,20,21,24).
What are the key properties of 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea?
1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea has a molecular weight of 363.39 g/mol, XLogP of 3.02, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-3-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]urea is sourced from PubChem (CID 129006008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).