4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine

C13H15FN2O2 — CID 82087354

IUPAC4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(C(C)C)noc2N)cc1F
InChIInChI=1S/C13H15FN2O2/c1-7(2)12-11(13(15)18-16-12)8-4-5-10(17-3)9(14)6-8/h4-7H,15H2,1-3H3
InChIKeyXKPGPDPRLFPDRZ-UHFFFAOYSA-N
MW250.27 g/mol
LogP3.19
Rot. Bonds3

About 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine

4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 82087354) has the molecular formula C13H15FN2O2 and a molecular weight of 250.27 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
PubChem CID82087354
Molecular FormulaC13H15FN2O2
Molecular Weight250.27 g/mol
Exact Mass250.11
IUPAC Name4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
SMILESCOc1ccc(-c2c(C(C)C)noc2N)cc1F
InChIInChI=1S/C13H15FN2O2/c1-7(2)12-11(13(15)18-16-12)8-4-5-10(17-3)9(14)6-8/h4-7H,15H2,1-3H3
InChIKeyXKPGPDPRLFPDRZ-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

4-(3-chloro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine
CID 82092078
5-amino-4-(3-fluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 82087875
4-(4-methoxy-3-methylphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82079241
5-(3-fluoro-4-methoxyphenyl)pyrimidin-2-amine
CID 57445392
4-(3-chloro-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82084136
(1R)-1-[3-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 82626741
1,2-difluoro-4-(3-fluoro-4-methoxyphenyl)benzene
CID 18930756
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-2-methoxyethanamine
CID 104633744
1-[5-(3-fluoro-4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 62921233
4-(3-ethyl-4-methoxyphenyl)-3-methyl-1,2-oxazol-5-amine
CID 82082412
1,3-dichloro-2-(3-fluoro-4-methoxyphenyl)benzene
CID 118991494
2-(3-fluoro-4-methoxyphenyl)-4-propan-2-yl-1,3-thiazole-5-carboxylic acid
CID 98032866

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine (CID 82087354) is 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine is COc1ccc(-c2c(C(C)C)noc2N)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is XKPGPDPRLFPDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O2/c1-7(2)12-11(13(15)18-16-12)8-4-5-10(17-3)9(14)6-8/h4-7H,15H2,1-3H3.
What are the key properties of 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine?
4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-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 4-(3-fluoro-4-methoxyphenyl)-3-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 82087354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).