5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine

C18H21FN4O3 — CID 129471942

IUPAC5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCC(C)c1noc([C@H](Nc2nc3cc(F)ccc3o2)C2CCOCC2)n1
InChIInChI=1S/C18H21FN4O3/c1-10(2)16-22-17(26-23-16)15(11-5-7-24-8-6-11)21-18-20-13-9-12(19)3-4-14(13)25-18/h3-4,9-11,15H,5-8H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyBWUAGCANHOGMEN-OAHLLOKOSA-N
MW360.39 g/mol
LogP4.05
Rot. Bonds5

About 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine

5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 129471942) has the molecular formula C18H21FN4O3 and a molecular weight of 360.39 g/mol. Its IUPAC name is 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
PubChem CID129471942
Molecular FormulaC18H21FN4O3
Molecular Weight360.39 g/mol
Exact Mass360.16
IUPAC Name5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCC(C)c1noc([C@H](Nc2nc3cc(F)ccc3o2)C2CCOCC2)n1
InChIInChI=1S/C18H21FN4O3/c1-10(2)16-22-17(26-23-16)15(11-5-7-24-8-6-11)21-18-20-13-9-12(19)3-4-14(13)25-18/h3-4,9-11,15H,5-8H2,1-2H3,(H,20,21)/t15-/m1/s1
InChIKeyBWUAGCANHOGMEN-OAHLLOKOSA-N
XLogP4.05
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.39
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine (CID 129471942) is 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine is CC(C)c1noc([C@H](Nc2nc3cc(F)ccc3o2)C2CCOCC2)n1.
What is the InChIKey of 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is BWUAGCANHOGMEN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21FN4O3/c1-10(2)16-22-17(26-23-16)15(11-5-7-24-8-6-11)21-18-20-13-9-12(19)3-4-14(13)25-18/h3-4,9-11,15H,5-8H2,1-2H3,(H,20,21)/t15-/m1/s1.
What are the key properties of 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine?
5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 360.39 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 129471942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).