4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine

C14H18N2O2 — CID 82365983

IUPAC4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(C(C)(C)C)cc1-c1cnoc1N
InChIInChI=1S/C14H18N2O2/c1-14(2,3)9-5-6-12(17-4)10(7-9)11-8-16-18-13(11)15/h5-8H,15H2,1-4H3
InChIKeyWBAKANZNJPVTHU-UHFFFAOYSA-N
MW246.31 g/mol
LogP3.23
Rot. Bonds2

About 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine

4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine (PubChem CID 82365983) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
PubChem CID82365983
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(C(C)(C)C)cc1-c1cnoc1N
InChIInChI=1S/C14H18N2O2/c1-14(2,3)9-5-6-12(17-4)10(7-9)11-8-16-18-13(11)15/h5-8H,15H2,1-4H3
InChIKeyWBAKANZNJPVTHU-UHFFFAOYSA-N
XLogP3.23
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117457547
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-(3-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117292477
4-(5-tert-butyl-2-methoxyphenyl)-1,2,5-oxadiazol-3-amine
CID 82118685
2-(5-amino-1,2-oxazol-4-yl)-5-bromo-4-methoxyphenol
CID 117458746
4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117388349
4-(5-tert-butyl-2-methoxyphenyl)aniline
CID 83655480
4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117336523

Frequently Asked Questions

What is the IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine (CID 82365983) is 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine is COc1ccc(C(C)(C)C)cc1-c1cnoc1N.
What is the InChIKey of 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine?
The InChIKey is WBAKANZNJPVTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(2,3)9-5-6-12(17-4)10(7-9)11-8-16-18-13(11)15/h5-8H,15H2,1-4H3.
What are the key properties of 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine?
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine has a molecular weight of 246.31 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 82365983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).