N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine

C16H12F2N2O — CID 158173955

IUPACN-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine
SMILESCc1cccc(-c2cnc(Nc3ccc(F)cc3F)o2)c1
InChIInChI=1S/C16H12F2N2O/c1-10-3-2-4-11(7-10)15-9-19-16(21-15)20-14-6-5-12(17)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeySTMUROBLZPRHBM-UHFFFAOYSA-N
MW286.28 g/mol
LogP4.67
Rot. Bonds3

About N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine

N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine (PubChem CID 158173955) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine
PubChem CID158173955
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC NameN-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine
SMILESCc1cccc(-c2cnc(Nc3ccc(F)cc3F)o2)c1
InChIInChI=1S/C16H12F2N2O/c1-10-3-2-4-11(7-10)15-9-19-16(21-15)20-14-6-5-12(17)8-13(14)18/h2-9H,1H3,(H,19,20)
InChIKeySTMUROBLZPRHBM-UHFFFAOYSA-N
XLogP4.67
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
4-[3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]phenyl]-3-methyl-1,2-dihydropyrrol-5-one
CID 160905581
N-(2-fluorophenyl)-5-[3-(1H-1,2,4-triazol-5-yl)phenyl]-1,3-oxazol-2-amine
CID 158687708
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
N-(2-fluorophenyl)-5-(2-methylphenyl)-1,3-oxazol-2-amine
CID 157218081
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
N-(5-ethylsulfonyl-2-methoxyphenyl)-5-[3-(3-fluorophenyl)phenyl]-1,3-oxazol-2-amine
CID 18439732
[2-[2-(2,5-difluoroanilino)-1,3-oxazol-5-yl]phenyl]-methoxymethanol
CID 139441367
N-ethyl-2-[5-(3-methylphenyl)-1,3-oxazol-2-yl]ethanamine
CID 65183399
5-phenyl-N-[2-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
CID 141185425
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
2-(2,4-difluoroanilino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109267042

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine?
The IUPAC name of N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine (CID 158173955) is N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine is Cc1cccc(-c2cnc(Nc3ccc(F)cc3F)o2)c1.
What is the InChIKey of N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine?
The InChIKey is STMUROBLZPRHBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-10-3-2-4-11(7-10)15-9-19-16(21-15)20-14-6-5-12(17)8-13(14)18/h2-9H,1H3,(H,19,20).
What are the key properties of N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine?
N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine has a molecular weight of 286.28 g/mol, XLogP of 4.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-5-(3-methylphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 158173955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).