4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine

C13H13ClN2O2 — CID 117416149

IUPAC4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine
SMILESC=C(C)COc1ccc(-c2cnoc2N)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-8(2)7-17-12-4-3-9(5-11(12)14)10-6-16-18-13(10)15/h3-6H,1,7,15H2,2H3
InChIKeyHWCLDCYDWXQLGH-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.53
Rot. Bonds4

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

4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine (PubChem CID 117416149) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine
PubChem CID117416149
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine
SMILESC=C(C)COc1ccc(-c2cnoc2N)cc1Cl
InChIInChI=1S/C13H13ClN2O2/c1-8(2)7-17-12-4-3-9(5-11(12)14)10-6-16-18-13(10)15/h3-6H,1,7,15H2,2H3
InChIKeyHWCLDCYDWXQLGH-UHFFFAOYSA-N
XLogP3.53
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117473795
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
4-[4-(cyclopropylmethoxy)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117404879
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
2-methylprop-2-enyl 2-(2,4-dichlorophenoxy)acetate
CID 170555198
4-[5-chloro-4-methoxy-2-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117425195
4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117349779
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117450717
4-chloro-2-methoxy-1-(2-methylprop-2-enoxy)benzene
CID 68967130
4-[4-methoxy-3-(thian-4-yloxy)phenyl]-1,2-oxazol-5-amine
CID 117491641
1-[3-(5-amino-1,2-oxazol-4-yl)phenyl]propan-2-ol
CID 115112167

Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine (CID 117416149) is 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine is C=C(C)COc1ccc(-c2cnoc2N)cc1Cl.
What is the InChIKey of 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine?
The InChIKey is HWCLDCYDWXQLGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-8(2)7-17-12-4-3-9(5-11(12)14)10-6-16-18-13(10)15/h3-6H,1,7,15H2,2H3.
What are the key properties of 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine?
4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine has a molecular weight of 264.71 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-4-(2-methylprop-2-enoxy)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117416149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).