4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine

C14H17FN2O3 — CID 117449841

IUPAC4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(C(C)(C)F)cc(-c2cnoc2N)c1OC
InChIInChI=1S/C14H17FN2O3/c1-14(2,15)8-5-9(10-7-17-20-13(10)16)12(19-4)11(6-8)18-3/h5-7H,16H2,1-4H3
InChIKeyAVUVAGCJYMONCH-UHFFFAOYSA-N
MW280.30 g/mol
LogP3.15
Rot. Bonds4

About 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine

4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117449841) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117449841
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(C(C)(C)F)cc(-c2cnoc2N)c1OC
InChIInChI=1S/C14H17FN2O3/c1-14(2,15)8-5-9(10-7-17-20-13(10)16)12(19-4)11(6-8)18-3/h5-7H,16H2,1-4H3
InChIKeyAVUVAGCJYMONCH-UHFFFAOYSA-N
XLogP3.15
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449840
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1-methylpyrazol-5-amine
CID 117473364
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117457547
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117388349
4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117480763
4-[5-(1,1-difluoroethyl)-2,3-dimethoxyphenyl]-1H-pyrazol-5-amine
CID 117455217
4-(4-fluoro-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 117297113
4-[2-(difluoromethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428577
4-(2-chloro-4,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389663
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756

Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine (CID 117449841) is 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine is COc1cc(C(C)(C)F)cc(-c2cnoc2N)c1OC.
What is the InChIKey of 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is AVUVAGCJYMONCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(2,15)8-5-9(10-7-17-20-13(10)16)12(19-4)11(6-8)18-3/h5-7H,16H2,1-4H3.
What are the key properties of 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine?
4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 280.30 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117449841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).