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

C12H13FN2O3 — CID 117383350

IUPAC3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(OC)c(-c2cc(N)on2)cc1CF
InChIInChI=1S/C12H13FN2O3/c1-16-10-5-11(17-2)8(3-7(10)6-13)9-4-12(14)18-15-9/h3-5H,6,14H2,1-2H3
InChIKeyNPTORWMAMRRLSZ-UHFFFAOYSA-N
MW252.25 g/mol
LogP2.41
Rot. Bonds4

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

3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine (PubChem CID 117383350) has the molecular formula C12H13FN2O3 and a molecular weight of 252.25 g/mol. Its IUPAC name is 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
PubChem CID117383350
Molecular FormulaC12H13FN2O3
Molecular Weight252.25 g/mol
Exact Mass252.09
IUPAC Name3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
SMILESCOc1cc(OC)c(-c2cc(N)on2)cc1CF
InChIInChI=1S/C12H13FN2O3/c1-16-10-5-11(17-2)8(3-7(10)6-13)9-4-12(14)18-15-9/h3-5H,6,14H2,1-2H3
InChIKeyNPTORWMAMRRLSZ-UHFFFAOYSA-N
XLogP2.41
TPSA70.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.25
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2,5-dimethoxy-4-(methoxymethyl)phenyl]-1,2-oxazol-5-amine
CID 117414909
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428576
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
3-(4-ethyl-5-methoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117415535
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
2-(5-amino-1,2-oxazol-3-yl)-4-methoxy-5-methylphenol
CID 136993797
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117461612

Frequently Asked Questions

What is the IUPAC name of 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine?
The IUPAC name of 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine (CID 117383350) is 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine.
What is the SMILES notation for 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine?
The canonical SMILES for 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine is COc1cc(OC)c(-c2cc(N)on2)cc1CF.
What is the InChIKey of 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine?
The InChIKey is NPTORWMAMRRLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3/c1-16-10-5-11(17-2)8(3-7(10)6-13)9-4-12(14)18-15-9/h3-5H,6,14H2,1-2H3.
What are the key properties of 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine?
3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine has a molecular weight of 252.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine is sourced from PubChem (CID 117383350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).