5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine

C13H14ClN3O2 — CID 117448772

IUPAC5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
SMILESCN1CC(Oc2ccc(-c3cc(N)no3)cc2Cl)C1
InChIInChI=1S/C13H14ClN3O2/c1-17-6-9(7-17)18-11-3-2-8(4-10(11)14)12-5-13(15)16-19-12/h2-5,9H,6-7H2,1H3,(H2,15,16)
InChIKeyAQRJUGLFVMIHCS-UHFFFAOYSA-N
MW279.73 g/mol
LogP2.27
Rot. Bonds3

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

5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine (PubChem CID 117448772) has the molecular formula C13H14ClN3O2 and a molecular weight of 279.73 g/mol. Its IUPAC name is 5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
PubChem CID117448772
Molecular FormulaC13H14ClN3O2
Molecular Weight279.73 g/mol
Exact Mass279.08
IUPAC Name5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine
SMILESCN1CC(Oc2ccc(-c3cc(N)no3)cc2Cl)C1
InChIInChI=1S/C13H14ClN3O2/c1-17-6-9(7-17)18-11-3-2-8(4-10(11)14)12-5-13(15)16-19-12/h2-5,9H,6-7H2,1H3,(H2,15,16)
InChIKeyAQRJUGLFVMIHCS-UHFFFAOYSA-N
XLogP2.27
TPSA64.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[3-chloro-4-(oxan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117475309
5-(3-chloro-4-methoxyphenyl)-1,2-oxazol-3-amine
CID 82114977
5-(3-bromo-4-cyclopropyloxyphenyl)-1,2-oxazol-3-amine
CID 117475662
5-[3-methoxy-4-(thiolan-3-yloxy)phenyl]-1,2-oxazol-3-amine
CID 117472099
5-[3-chloro-4-(oxan-4-yl)phenyl]-1,2-oxazol-3-amine
CID 117447033
5-[3-methoxy-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazole-3-carboxylic acid
CID 117489524
5-(4-methoxy-3-piperidin-3-yloxyphenyl)-1,2-oxazol-3-amine
CID 117467434
2-amino-2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]acetic acid
CID 117429830
5-(4-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 82112667
3-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]propan-1-amine
CID 115005357
methyl 2-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-2-hydroxyacetate
CID 117460126
5-[4-(1,1-dioxothietan-3-yl)oxyphenyl]-1,2-oxazol-3-amine
CID 117449852

Frequently Asked Questions

What is the IUPAC name of 5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine?
The IUPAC name of 5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine (CID 117448772) is 5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine is CN1CC(Oc2ccc(-c3cc(N)no3)cc2Cl)C1.
What is the InChIKey of 5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine?
The InChIKey is AQRJUGLFVMIHCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2/c1-17-6-9(7-17)18-11-3-2-8(4-10(11)14)12-5-13(15)16-19-12/h2-5,9H,6-7H2,1H3,(H2,15,16).
What are the key properties of 5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine?
5-[3-chloro-4-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine has a molecular weight of 279.73 g/mol, XLogP of 2.27, 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-(1-methylazetidin-3-yl)oxyphenyl]-1,2-oxazol-3-amine is sourced from PubChem (CID 117448772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).