4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine

C13H16N2O2 — CID 117336523

IUPAC4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESCOC(C)(C)c1ccc(-c2cnoc2N)cc1
InChIInChI=1S/C13H16N2O2/c1-13(2,16-3)10-6-4-9(5-7-10)11-8-15-17-12(11)14/h4-8H,14H2,1-3H3
InChIKeyNFQWBAWIKRLPLG-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.81
Rot. Bonds3

About 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine

4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine (PubChem CID 117336523) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
PubChem CID117336523
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine
SMILESCOC(C)(C)c1ccc(-c2cnoc2N)cc1
InChIInChI=1S/C13H16N2O2/c1-13(2,16-3)10-6-4-9(5-7-10)11-8-15-17-12(11)14/h4-8H,14H2,1-3H3
InChIKeyNFQWBAWIKRLPLG-UHFFFAOYSA-N
XLogP2.81
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(1-methoxy-2-methylpropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 115112198
4-[4-(1-methoxyethyl)phenyl]-1,2-oxazol-5-amine
CID 117310978
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
1-(2-methoxypropan-2-yl)-2-[4-(2-methoxypropan-2-yl)phenyl]benzene
CID 139782660
4-[3-(2-methoxy-2-methylpropyl)phenyl]-1,2-oxazol-5-amine
CID 115112170
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117383874
4-[4-(4-methyl-1,3-oxazol-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117354707
4-(3-bromo-4-methylphenyl)-1,2-oxazol-5-amine
CID 117385048
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-(3-methyl-1-benzofuran-6-yl)-1,2-oxazol-5-amine
CID 117305300
4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
1-[4-(5-amino-1,2-oxazol-4-yl)phenyl]-3-propan-2-ylimidazol-2-one
CID 117457742

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine (CID 117336523) is 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine is COC(C)(C)c1ccc(-c2cnoc2N)cc1.
What is the InChIKey of 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine?
The InChIKey is NFQWBAWIKRLPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-13(2,16-3)10-6-4-9(5-7-10)11-8-15-17-12(11)14/h4-8H,14H2,1-3H3.
What are the key properties of 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine?
4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine has a molecular weight of 232.28 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-methoxypropan-2-yl)phenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117336523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).