5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one

C18H18N2O4 — CID 175538785

IUPAC5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]cc(CC(O)CNc2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C18H18N2O4/c21-14(10-17-12-20-18(22)24-17)11-19-13-5-4-8-16(9-13)23-15-6-2-1-3-7-15/h1-9,12,14,19,21H,10-11H2,(H,20,22)
InChIKeySACOWFFIFAEUOL-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.78
Rot. Bonds7

About 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one

5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one (PubChem CID 175538785) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one.

Molecular Properties

Compound Name5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one
PubChem CID175538785
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC Name5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one
SMILESO=c1[nH]cc(CC(O)CNc2cccc(Oc3ccccc3)c2)o1
InChIInChI=1S/C18H18N2O4/c21-14(10-17-12-20-18(22)24-17)11-19-13-5-4-8-16(9-13)23-15-6-2-1-3-7-15/h1-9,12,14,19,21H,10-11H2,(H,20,22)
InChIKeySACOWFFIFAEUOL-UHFFFAOYSA-N
XLogP2.78
TPSA87.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one?
The IUPAC name of 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one (CID 175538785) is 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one.
What is the SMILES notation for 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one?
The canonical SMILES for 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one is O=c1[nH]cc(CC(O)CNc2cccc(Oc3ccccc3)c2)o1.
What is the InChIKey of 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one?
The InChIKey is SACOWFFIFAEUOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c21-14(10-17-12-20-18(22)24-17)11-19-13-5-4-8-16(9-13)23-15-6-2-1-3-7-15/h1-9,12,14,19,21H,10-11H2,(H,20,22).
What are the key properties of 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one?
5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one has a molecular weight of 326.35 g/mol, XLogP of 2.78, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-hydroxy-3-(3-phenoxyanilino)propyl]-3H-1,3-oxazol-2-one is sourced from PubChem (CID 175538785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).