5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine

C13H15FN2O2 — CID 117378736

IUPAC5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(F)cc(C(C)C)cc1-c1cc(N)no1
InChIInChI=1S/C13H15FN2O2/c1-7(2)8-4-9(11-6-12(15)16-18-11)13(17-3)10(14)5-8/h4-7H,1-3H3,(H2,15,16)
InChIKeyCQTQUBBDZFVPDX-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.19
Rot. Bonds3

About 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine

5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine (PubChem CID 117378736) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine
PubChem CID117378736
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine
SMILESCOc1c(F)cc(C(C)C)cc1-c1cc(N)no1
InChIInChI=1S/C13H15FN2O2/c1-7(2)8-4-9(11-6-12(15)16-18-11)13(17-3)10(14)5-8/h4-7H,1-3H3,(H2,15,16)
InChIKeyCQTQUBBDZFVPDX-UHFFFAOYSA-N
XLogP3.19
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(3,5-difluoro-2,6-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393405
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486
5-(4,6-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393410
5-[5-(difluoromethyl)-2,3-difluorophenyl]-1,2-oxazol-3-amine
CID 117367117
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
5-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117425219
5-(7-fluoro-6-methoxy-1,3-benzodioxol-5-yl)-1,2-oxazol-3-amine
CID 117383164
5-(2-methoxy-3-methylphenyl)-1,2-oxazol-3-amine
CID 117292510
5-(5-chloro-3-methoxy-2-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117454242
5-[2,3-difluoro-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117352540
5-[2,3-dimethoxy-5-(methoxymethyl)phenyl]-1,2-oxazol-3-amine
CID 117414884

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine (CID 117378736) is 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine is COc1c(F)cc(C(C)C)cc1-c1cc(N)no1.
What is the InChIKey of 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine?
The InChIKey is CQTQUBBDZFVPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-7(2)8-4-9(11-6-12(15)16-18-11)13(17-3)10(14)5-8/h4-7H,1-3H3,(H2,15,16).
What are the key properties of 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine?
5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine has a molecular weight of 250.27 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluoro-2-methoxy-5-propan-2-ylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117378736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).