2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline

C16H13FN2O — CID 115049958

IUPAC2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
SMILESCc1oc(-c2ccccc2)nc1-c1ccc(F)c(N)c1
InChIInChI=1S/C16H13FN2O/c1-10-15(12-7-8-13(17)14(18)9-12)19-16(20-10)11-5-3-2-4-6-11/h2-9H,18H2,1H3
InChIKeyVRTQLRFZTBMJQK-UHFFFAOYSA-N
MW268.29 g/mol
LogP4.04
Rot. Bonds2

About 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline

2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline (PubChem CID 115049958) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
PubChem CID115049958
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline
SMILESCc1oc(-c2ccccc2)nc1-c1ccc(F)c(N)c1
InChIInChI=1S/C16H13FN2O/c1-10-15(12-7-8-13(17)14(18)9-12)19-16(20-10)11-5-3-2-4-6-11/h2-9H,18H2,1H3
InChIKeyVRTQLRFZTBMJQK-UHFFFAOYSA-N
XLogP4.04
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(3-amino-4-fluorophenyl)-5-methyl-1H-imidazol-2-amine
CID 115024516
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
2-fluoro-5-(2-methylphenyl)aniline
CID 82076476
5-methyl-4-methylsulfanyl-2-phenyl-1,3-oxazole
CID 11694132
2-fluoro-5-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]aniline
CID 139303881
5-methyl-4-naphthalen-1-yl-2-phenyl-1,3-oxazole
CID 42611623
4-(1-benzylpyridin-1-ium-4-yl)-5-methyl-2-phenyl-1,3-oxazole
CID 11596633
2-[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]-4-phenylphenol
CID 174428561
(5-methyl-2-phenyl-1,3-oxazol-4-yl)methanamine
CID 15616431
2-amino-4-(2-amino-5-methyl-1,3-oxazol-4-yl)phenol
CID 115023924
4-(3-bromo-4-fluorophenyl)-2-ethyl-5-methyl-1,3-oxazole
CID 115052084
5-methyl-2-phenyl-1,3-benzoxazol-6-amine
CID 155036238

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline?
The IUPAC name of 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline (CID 115049958) is 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline.
What is the SMILES notation for 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline?
The canonical SMILES for 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline is Cc1oc(-c2ccccc2)nc1-c1ccc(F)c(N)c1.
What is the InChIKey of 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline?
The InChIKey is VRTQLRFZTBMJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-10-15(12-7-8-13(17)14(18)9-12)19-16(20-10)11-5-3-2-4-6-11/h2-9H,18H2,1H3.
What are the key properties of 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline?
2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline has a molecular weight of 268.29 g/mol, XLogP of 4.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(5-methyl-2-phenyl-1,3-oxazol-4-yl)aniline is sourced from PubChem (CID 115049958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).