5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine

C12H13ClN2O2 — CID 117384774

IUPAC5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCCc1cc(Cl)cc(-c2cc(N)no2)c1OC
InChIInChI=1S/C12H13ClN2O2/c1-3-7-4-8(13)5-9(12(7)16-2)10-6-11(14)15-17-10/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyKZCIPKWQRFXTCF-UHFFFAOYSA-N
MW252.70 g/mol
LogP3.15
Rot. Bonds3

About 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine

5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine (PubChem CID 117384774) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
PubChem CID117384774
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine
SMILESCCc1cc(Cl)cc(-c2cc(N)no2)c1OC
InChIInChI=1S/C12H13ClN2O2/c1-3-7-4-8(13)5-9(12(7)16-2)10-6-11(14)15-17-10/h4-6H,3H2,1-2H3,(H2,14,15)
InChIKeyKZCIPKWQRFXTCF-UHFFFAOYSA-N
XLogP3.15
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-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

5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117454242
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(7-chloro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117425013
5-(3-chloro-2,4-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117389690
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117414884
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405
1,5-dichloro-3-ethyl-2-methoxybenzene
CID 71215672
2-(3-amino-1,2-oxazol-5-yl)-5-chloro-6-methoxy-3-methylphenol
CID 136942364
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 117373527

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine (CID 117384774) is 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine is CCc1cc(Cl)cc(-c2cc(N)no2)c1OC.
What is the InChIKey of 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine?
The InChIKey is KZCIPKWQRFXTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-3-7-4-8(13)5-9(12(7)16-2)10-6-11(14)15-17-10/h4-6H,3H2,1-2H3,(H2,14,15).
What are the key properties of 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine?
5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine has a molecular weight of 252.70 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-3-ethyl-2-methoxyphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117384774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).