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

C14H17FN2O3 — CID 117449840

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

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

4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117449840) has the molecular formula C14H17FN2O3 and a molecular weight of 280.30 g/mol. Its IUPAC name is 4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117449840
Molecular FormulaC14H17FN2O3
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(-c2cnoc2N)cc(C(C)(C)F)c1OC
InChIInChI=1S/C14H17FN2O3/c1-14(2,15)10-5-8(9-7-17-20-13(9)16)6-11(18-3)12(10)19-4/h5-7H,16H2,1-4H3
InChIKeyLQEWTIGOBYTGHK-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-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117449841
4-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117324756
4-[2-(1,1-difluoroethyl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117457547
4-(4-methoxy-1H-indol-6-yl)-1,2-oxazol-5-amine
CID 117330207
4-(3-chloro-4-cyclopropyloxy-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117450717
4-(4-tert-butyl-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117442637
4-(3-chloro-4-ethyl-5-methoxyphenyl)-1,2-oxazol-5-amine
CID 117384751
4-(5-tert-butyl-2-methoxyphenyl)-1,2-oxazol-5-amine
CID 82365983
4-[2-(1,1-difluoroethyl)-3-methoxyphenyl]-1,2-oxazol-5-amine
CID 117388349
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117425199
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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine (CID 117449840) is 4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine is COc1cc(-c2cnoc2N)cc(C(C)(C)F)c1OC.
What is the InChIKey of 4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is LQEWTIGOBYTGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O3/c1-14(2,15)10-5-8(9-7-17-20-13(9)16)6-11(18-3)12(10)19-4/h5-7H,16H2,1-4H3.
What are the key properties of 4-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine?
4-[3-(2-fluoropropan-2-yl)-4,5-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-[3-(2-fluoropropan-2-yl)-4,5-dimethoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117449840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).