4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine

C13H13ClN2O2 — CID 117416150

IUPAC4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESCC1(C)Cc2cc(-c3cnoc3N)cc(Cl)c2O1
InChIInChI=1S/C13H13ClN2O2/c1-13(2)5-8-3-7(4-10(14)11(8)17-13)9-6-16-18-12(9)15/h3-4,6H,5,15H2,1-2H3
InChIKeyYTCTWBXKEKKUOO-UHFFFAOYSA-N
MW264.71 g/mol
LogP3.29
Rot. Bonds1

About 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine

4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine (PubChem CID 117416150) has the molecular formula C13H13ClN2O2 and a molecular weight of 264.71 g/mol. Its IUPAC name is 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine
PubChem CID117416150
Molecular FormulaC13H13ClN2O2
Molecular Weight264.71 g/mol
Exact Mass264.07
IUPAC Name4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine
SMILESCC1(C)Cc2cc(-c3cnoc3N)cc(Cl)c2O1
InChIInChI=1S/C13H13ClN2O2/c1-13(2)5-8-3-7(4-10(14)11(8)17-13)9-6-16-18-12(9)15/h3-4,6H,5,15H2,1-2H3
InChIKeyYTCTWBXKEKKUOO-UHFFFAOYSA-N
XLogP3.29
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.71
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazole-5-carboxylic acid
CID 117473796
5-(5-chloro-2,2-dimethyl-3H-1-benzofuran-7-yl)-1H-pyrazol-3-amine
CID 117414117
4-[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]-1,2-oxazol-5-amine
CID 117472714
4-(7-chloro-3-methyl-1H-indol-5-yl)-1,2-oxazol-5-amine
CID 117372446
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117450717
4-(3-chloro-4-pyrrolidin-1-ylphenyl)-1,2-oxazol-5-amine
CID 117414139
2-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)propan-1-ol
CID 117354119
4-(3-amino-4,5-dimethylphenyl)-1,2-oxazol-5-amine
CID 115112194
4,7-dichloro-2,2-dimethyl-3H-1-benzofuran-5-amine
CID 3434321
4-(6-chlorospiro[1,3-benzodioxole-2,1'-cyclobutane]-5-yl)-1,2-oxazol-5-amine
CID 117446934
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932

Frequently Asked Questions

What is the IUPAC name of 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine (CID 117416150) is 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine is CC1(C)Cc2cc(-c3cnoc3N)cc(Cl)c2O1.
What is the InChIKey of 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
The InChIKey is YTCTWBXKEKKUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2/c1-13(2)5-8-3-7(4-10(14)11(8)17-13)9-6-16-18-12(9)15/h3-4,6H,5,15H2,1-2H3.
What are the key properties of 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine?
4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine has a molecular weight of 264.71 g/mol, XLogP of 3.29, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-chloro-2,2-dimethyl-3H-1-benzofuran-5-yl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117416150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).