5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine

C19H19FN2O2 — CID 134589321

IUPAC5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine
SMILESCc1cc(Nc2ncc(-c3cccc(F)c3)o2)cc(OC(C)C)c1
InChIInChI=1S/C19H19FN2O2/c1-12(2)23-17-8-13(3)7-16(10-17)22-19-21-11-18(24-19)14-5-4-6-15(20)9-14/h4-12H,1-3H3,(H,21,22)
InChIKeySFJFZRCZQSYENT-UHFFFAOYSA-N
MW326.37 g/mol
LogP5.32
Rot. Bonds5

About 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine

5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine (PubChem CID 134589321) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine
PubChem CID134589321
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine
SMILESCc1cc(Nc2ncc(-c3cccc(F)c3)o2)cc(OC(C)C)c1
InChIInChI=1S/C19H19FN2O2/c1-12(2)23-17-8-13(3)7-16(10-17)22-19-21-11-18(24-19)14-5-4-6-15(20)9-14/h4-12H,1-3H3,(H,21,22)
InChIKeySFJFZRCZQSYENT-UHFFFAOYSA-N
XLogP5.32
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.37
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329844
3-(5-Phenyl-oxazol-2-ylamino)phenylmethanol
CID 5329847
N-(3-methylphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329849
N-(3,4-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329852
N-(3,5-dimethoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329853
5-phenyl-N-(3,4,5-trimethoxyphenyl)-1,3-oxazol-2-amine
CID 5329854
N-(4-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329851
N-(3-phenoxyphenyl)-5-phenyl-1,3-oxazol-2-amine
CID 5329846
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-phenyl-oxazol-2-amine
CID 497770
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(o-tolyl)oxazol-2-amine
CID 497771
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(m-tolyl)oxazol-2-amine
CID 497772
N-(3-methoxy-4-oxazol-5-yl-phenyl)-5-(p-tolyl)oxazol-2-amine
CID 497773

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine?
The IUPAC name of 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine (CID 134589321) is 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine.
What is the SMILES notation for 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine?
The canonical SMILES for 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine is Cc1cc(Nc2ncc(-c3cccc(F)c3)o2)cc(OC(C)C)c1.
What is the InChIKey of 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine?
The InChIKey is SFJFZRCZQSYENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O2/c1-12(2)23-17-8-13(3)7-16(10-17)22-19-21-11-18(24-19)14-5-4-6-15(20)9-14/h4-12H,1-3H3,(H,21,22).
What are the key properties of 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine?
5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine has a molecular weight of 326.37 g/mol, XLogP of 5.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-N-(3-methyl-5-propan-2-yloxyphenyl)-1,3-oxazol-2-amine is sourced from PubChem (CID 134589321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).