N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine

C16H11F3N2O2 — CID 174880442

IUPACN-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(Nc2cc(-c3cc(F)c(F)cc3F)no2)cc1
InChIInChI=1S/C16H11F3N2O2/c1-22-10-4-2-9(3-5-10)20-16-8-15(21-23-16)11-6-13(18)14(19)7-12(11)17/h2-8,20H,1H3
InChIKeyFKOCMJYXHIJOIP-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.51
Rot. Bonds4

About N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine

N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine (PubChem CID 174880442) has the molecular formula C16H11F3N2O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine
PubChem CID174880442
Molecular FormulaC16H11F3N2O2
Molecular Weight320.27 g/mol
Exact Mass320.08
IUPAC NameN-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine
SMILESCOc1ccc(Nc2cc(-c3cc(F)c(F)cc3F)no2)cc1
InChIInChI=1S/C16H11F3N2O2/c1-22-10-4-2-9(3-5-10)20-16-8-15(21-23-16)11-6-13(18)14(19)7-12(11)17/h2-8,20H,1H3
InChIKeyFKOCMJYXHIJOIP-UHFFFAOYSA-N
XLogP4.51
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

3,4,5-trifluoro-N-(4-methoxyphenyl)aniline
CID 52951070
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
ethane;3-(2-fluoro-4-methoxyphenyl)-N-[2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-yl]-1,2-oxazol-5-amine
CID 156741805
4-chloro-N-(4-methoxyphenyl)furan-2-amine
CID 141495769
N-(difluoromethyl)-4-methoxyaniline
CID 118609343
3,5-difluoro-1-N-(4-methoxyphenyl)benzene-1,2-diamine
CID 113325112
4-(5-fluoro-2-methoxyphenyl)-N-(4-methoxyphenyl)-1,3-thiazol-2-amine
CID 8962514
2-iodo-N-[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]acetamide
CID 13362982
3-(3-methoxyphenyl)-N-methyl-1,2-oxazol-5-amine
CID 134400305
5-N-(2-fluorophenyl)-6-N-(4-methoxyphenyl)-[1,2,5]oxadiazolo[3,4-b]pyrazine-5,6-diamine
CID 135387146
3-N-(4-methoxyphenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)-1,2,4-triazine-3,5-diamine
CID 112967457
6,7-difluoro-N-(4-methoxyphenyl)-3-methyl-1,4-dioxidoquinoxaline-1,4-diium-2-amine
CID 135476481

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine (CID 174880442) is N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine is COc1ccc(Nc2cc(-c3cc(F)c(F)cc3F)no2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is FKOCMJYXHIJOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O2/c1-22-10-4-2-9(3-5-10)20-16-8-15(21-23-16)11-6-13(18)14(19)7-12(11)17/h2-8,20H,1H3.
What are the key properties of N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine?
N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 320.27 g/mol, XLogP of 4.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(2,4,5-trifluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 174880442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).