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

C13H11FN4O2 — CID 133314245

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc2oc(NCc3nc(C4CC4)no3)nc2c1
InChIInChI=1S/C13H11FN4O2/c14-8-3-4-10-9(5-8)16-13(19-10)15-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyOCRFJSIUJOIDLF-UHFFFAOYSA-N
MW274.25 g/mol
LogP2.84
Rot. Bonds4

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine (PubChem CID 133314245) has the molecular formula C13H11FN4O2 and a molecular weight of 274.25 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
PubChem CID133314245
Molecular FormulaC13H11FN4O2
Molecular Weight274.25 g/mol
Exact Mass274.09
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine
SMILESFc1ccc2oc(NCc3nc(C4CC4)no3)nc2c1
InChIInChI=1S/C13H11FN4O2/c14-8-3-4-10-9(5-8)16-13(19-10)15-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16)
InChIKeyOCRFJSIUJOIDLF-UHFFFAOYSA-N
XLogP2.84
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine (CID 133314245) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine is Fc1ccc2oc(NCc3nc(C4CC4)no3)nc2c1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine?
The InChIKey is OCRFJSIUJOIDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN4O2/c14-8-3-4-10-9(5-8)16-13(19-10)15-6-11-17-12(18-20-11)7-1-2-7/h3-5,7H,1-2,6H2,(H,15,16).
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine has a molecular weight of 274.25 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-5-fluoro-1,3-benzoxazol-2-amine is sourced from PubChem (CID 133314245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).