N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine

C19H15N3O2S — CID 22459727

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3)cs2)ccc1-c1cnco1
InChIInChI=1S/C19H15N3O2S/c1-23-17-9-14(7-8-15(17)18-10-20-12-24-18)21-19-22-16(11-25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
InChIKeyFFOZYVABYOGJIU-UHFFFAOYSA-N
MW349.42 g/mol
LogP5.22
Rot. Bonds5

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine (PubChem CID 22459727) has the molecular formula C19H15N3O2S and a molecular weight of 349.42 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine
PubChem CID22459727
Molecular FormulaC19H15N3O2S
Molecular Weight349.42 g/mol
Exact Mass349.09
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine
SMILESCOc1cc(Nc2nc(-c3ccccc3)cs2)ccc1-c1cnco1
InChIInChI=1S/C19H15N3O2S/c1-23-17-9-14(7-8-15(17)18-10-20-12-24-18)21-19-22-16(11-25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22)
InChIKeyFFOZYVABYOGJIU-UHFFFAOYSA-N
XLogP5.22
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.42
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine (CID 22459727) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine is COc1cc(Nc2nc(-c3ccccc3)cs2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine?
The InChIKey is FFOZYVABYOGJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O2S/c1-23-17-9-14(7-8-15(17)18-10-20-12-24-18)21-19-22-16(11-25-19)13-5-3-2-4-6-13/h2-12H,1H3,(H,21,22).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine has a molecular weight of 349.42 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-4-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 22459727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).