3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol

C18H15N3O2 — CID 54104804

IUPAC3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1
InChIInChI=1S/C18H15N3O2/c22-15-3-1-2-14(10-15)17-11-16(21-23-17)12-4-6-13(7-5-12)18-19-8-9-20-18/h1-7,10-11,22H,8-9H2,(H,19,20)
InChIKeyNCZJRDLVDHEYPB-UHFFFAOYSA-N
MW305.34 g/mol
LogP3.06
Rot. Bonds3

About 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol

3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol (PubChem CID 54104804) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol.

Molecular Properties

Compound Name3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol
PubChem CID54104804
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC Name3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol
SMILESOc1cccc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1
InChIInChI=1S/C18H15N3O2/c22-15-3-1-2-14(10-15)17-11-16(21-23-17)12-4-6-13(7-5-12)18-19-8-9-20-18/h1-7,10-11,22H,8-9H2,(H,19,20)
InChIKeyNCZJRDLVDHEYPB-UHFFFAOYSA-N
XLogP3.06
TPSA70.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol?
The IUPAC name of 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol (CID 54104804) is 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol.
What is the SMILES notation for 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol?
The canonical SMILES for 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol is Oc1cccc(-c2cc(-c3ccc(C4=NCCN4)cc3)no2)c1.
What is the InChIKey of 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol?
The InChIKey is NCZJRDLVDHEYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O2/c22-15-3-1-2-14(10-15)17-11-16(21-23-17)12-4-6-13(7-5-12)18-19-8-9-20-18/h1-7,10-11,22H,8-9H2,(H,19,20).
What are the key properties of 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol?
3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol has a molecular weight of 305.34 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)phenyl]-1,2-oxazol-5-yl]phenol is sourced from PubChem (CID 54104804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).