5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine

C14H15N3O2 — CID 84742378

IUPAC5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine
SMILESCOc1cc(C)c2c(c1)c(-c1cc(N)no1)cn2C
InChIInChI=1S/C14H15N3O2/c1-8-4-9(18-3)5-10-11(7-17(2)14(8)10)12-6-13(15)16-19-12/h4-7H,1-3H3,(H2,15,16)
InChIKeyRVHLMLGVRNOJOZ-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.73
Rot. Bonds2

About 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine

5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine (PubChem CID 84742378) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine
PubChem CID84742378
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine
SMILESCOc1cc(C)c2c(c1)c(-c1cc(N)no1)cn2C
InChIInChI=1S/C14H15N3O2/c1-8-4-9(18-3)5-10-11(7-17(2)14(8)10)12-6-13(15)16-19-12/h4-7H,1-3H3,(H2,15,16)
InChIKeyRVHLMLGVRNOJOZ-UHFFFAOYSA-N
XLogP2.73
TPSA66.21 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-amino-1,2-oxazol-5-yl)-4-methoxy-6-methylphenol
CID 136993780
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(5-bromo-4-methoxy-2-methylphenyl)-1,2-oxazol-3-amine
CID 117454912
5-(3-chloro-2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358478
5-(2,3-dimethoxy-4,6-dimethylphenyl)-1,2-oxazol-3-amine
CID 117373527
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
2-(5-methoxy-1,7-dimethylindol-3-yl)propan-1-amine
CID 82495876
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(2-chloro-5-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117349810
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-(4-methoxy-3-methyl-1H-indol-5-yl)-1,2-oxazol-3-amine
CID 117359651

Frequently Asked Questions

What is the IUPAC name of 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine (CID 84742378) is 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine is COc1cc(C)c2c(c1)c(-c1cc(N)no1)cn2C.
What is the InChIKey of 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine?
The InChIKey is RVHLMLGVRNOJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-4-9(18-3)5-10-11(7-17(2)14(8)10)12-6-13(15)16-19-12/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine?
5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine has a molecular weight of 257.29 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methoxy-1,7-dimethylindol-3-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 84742378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).