3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine

C15H20N2O2 — CID 117405269

IUPAC3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(C)cc(-c2cc(N)on2)cc1C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-9-6-10(12-8-13(16)19-17-12)7-11(14(9)18-5)15(2,3)4/h6-8H,16H2,1-5H3
InChIKeyBECINGBGVPEKHZ-UHFFFAOYSA-N
MW260.34 g/mol
LogP3.54
Rot. Bonds2

About 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine

3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (PubChem CID 117405269) has the molecular formula C15H20N2O2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
PubChem CID117405269
Molecular FormulaC15H20N2O2
Molecular Weight260.34 g/mol
Exact Mass260.15
IUPAC Name3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(C)cc(-c2cc(N)on2)cc1C(C)(C)C
InChIInChI=1S/C15H20N2O2/c1-9-6-10(12-8-13(16)19-17-12)7-11(14(9)18-5)15(2,3)4/h6-8H,16H2,1-5H3
InChIKeyBECINGBGVPEKHZ-UHFFFAOYSA-N
XLogP3.54
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-bromo-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117454864
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(4-fluoro-3-methoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117317570
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467331
3-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazol-5-amine
CID 117340342
3-(2-methoxy-3,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 115112351
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
3-(4-tert-butyl-2-methylphenyl)-1,2-oxazol-5-amine
CID 82474477
4-(5-amino-1,2-oxazol-3-yl)-3-chloro-2-methoxy-5-methylphenol
CID 136942354
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651

Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine (CID 117405269) is 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is COc1c(C)cc(-c2cc(N)on2)cc1C(C)(C)C.
What is the InChIKey of 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
The InChIKey is BECINGBGVPEKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O2/c1-9-6-10(12-8-13(16)19-17-12)7-11(14(9)18-5)15(2,3)4/h6-8H,16H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine?
3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine has a molecular weight of 260.34 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117405269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).