5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine

C14H15ClN2O2 — CID 117447033

IUPAC5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(C3CCOCC3)c(Cl)c2)on1
InChIInChI=1S/C14H15ClN2O2/c15-12-7-10(13-8-14(16)17-19-13)1-2-11(12)9-3-5-18-6-4-9/h1-2,7-9H,3-6H2,(H2,16,17)
InChIKeyUJKHAIOKBDMOHL-UHFFFAOYSA-N
MW278.74 g/mol
LogP3.47
Rot. Bonds2

About 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine

5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine (PubChem CID 117447033) has the molecular formula C14H15ClN2O2 and a molecular weight of 278.74 g/mol. Its IUPAC name is 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine
PubChem CID117447033
Molecular FormulaC14H15ClN2O2
Molecular Weight278.74 g/mol
Exact Mass278.08
IUPAC Name5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(C3CCOCC3)c(Cl)c2)on1
InChIInChI=1S/C14H15ClN2O2/c15-12-7-10(13-8-14(16)17-19-13)1-2-11(12)9-3-5-18-6-4-9/h1-2,7-9H,3-6H2,(H2,16,17)
InChIKeyUJKHAIOKBDMOHL-UHFFFAOYSA-N
XLogP3.47
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.74
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine (CID 117447033) is 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(C3CCOCC3)c(Cl)c2)on1.
What is the InChIKey of 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine?
The InChIKey is UJKHAIOKBDMOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2/c15-12-7-10(13-8-14(16)17-19-13)1-2-11(12)9-3-5-18-6-4-9/h1-2,7-9H,3-6H2,(H2,16,17).
What are the key properties of 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine?
5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine has a molecular weight of 278.74 g/mol, XLogP of 3.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117447033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).