3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine

C14H15FN2O2 — CID 117410012

IUPAC3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OCC3CCC3)c(F)c2)no1
InChIInChI=1S/C14H15FN2O2/c15-11-6-10(12-7-14(16)19-17-12)4-5-13(11)18-8-9-2-1-3-9/h4-7,9H,1-3,8,16H2
InChIKeySAHOGTMXKHGVDR-UHFFFAOYSA-N
MW262.28 g/mol
LogP3.24
Rot. Bonds4

About 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine

3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine (PubChem CID 117410012) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine
PubChem CID117410012
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine
SMILESNc1cc(-c2ccc(OCC3CCC3)c(F)c2)no1
InChIInChI=1S/C14H15FN2O2/c15-11-6-10(12-7-14(16)19-17-12)4-5-13(11)18-8-9-2-1-3-9/h4-7,9H,1-3,8,16H2
InChIKeySAHOGTMXKHGVDR-UHFFFAOYSA-N
XLogP3.24
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine (CID 117410012) is 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine is Nc1cc(-c2ccc(OCC3CCC3)c(F)c2)no1.
What is the InChIKey of 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine?
The InChIKey is SAHOGTMXKHGVDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c15-11-6-10(12-7-14(16)19-17-12)4-5-13(11)18-8-9-2-1-3-9/h4-7,9H,1-3,8,16H2.
What are the key properties of 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine?
3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine has a molecular weight of 262.28 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclobutylmethoxy)-3-fluorophenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117410012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).