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

C14H15ClN2O3 — CID 117475309

IUPAC5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(OC3CCCOC3)c(Cl)c2)on1
InChIInChI=1S/C14H15ClN2O3/c15-11-6-9(13-7-14(16)17-20-13)3-4-12(11)19-10-2-1-5-18-8-10/h3-4,6-7,10H,1-2,5,8H2,(H2,16,17)
InChIKeyFFCQYHROJHPIPS-UHFFFAOYSA-N
MW294.74 g/mol
LogP3.13
Rot. Bonds3

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

5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine (PubChem CID 117475309) has the molecular formula C14H15ClN2O3 and a molecular weight of 294.74 g/mol. Its IUPAC name is 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
PubChem CID117475309
Molecular FormulaC14H15ClN2O3
Molecular Weight294.74 g/mol
Exact Mass294.08
IUPAC Name5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
SMILESNc1cc(-c2ccc(OC3CCCOC3)c(Cl)c2)on1
InChIInChI=1S/C14H15ClN2O3/c15-11-6-9(13-7-14(16)17-20-13)3-4-12(11)19-10-2-1-5-18-8-10/h3-4,6-7,10H,1-2,5,8H2,(H2,16,17)
InChIKeyFFCQYHROJHPIPS-UHFFFAOYSA-N
XLogP3.13
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.74
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117448772
3-chloro-4-(oxan-3-yloxy)aniline
CID 107134076
4-[3-chloro-4-(oxan-3-yloxy)phenyl]-1H-pyrazol-5-amine
CID 117473928
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
O-[[3-chloro-4-(oxan-3-yloxy)phenyl]methyl]hydroxylamine
CID 117397789
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117475662
5-chloro-2-(oxan-3-yloxy)aniline
CID 107134074
5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine
CID 117447033
3-(3-chloro-4-cyclopentyloxyphenyl)-1,2-oxazol-5-amine
CID 117447044
[1-[3-chloro-4-(oxan-3-yloxy)phenyl]cyclopropyl]methanamine
CID 117452536
3-[2-(oxan-3-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117404865
5-(4-methoxy-3-piperidin-3-yloxyphenyl)-1,2-oxazol-3-amine
CID 117467434

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine (CID 117475309) is 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine is Nc1cc(-c2ccc(OC3CCCOC3)c(Cl)c2)on1.
What is the InChIKey of 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
The InChIKey is FFCQYHROJHPIPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O3/c15-11-6-9(13-7-14(16)17-20-13)3-4-12(11)19-10-2-1-5-18-8-10/h3-4,6-7,10H,1-2,5,8H2,(H2,16,17).
What are the key properties of 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine?
5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine has a molecular weight of 294.74 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117475309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).