N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide

C18H15N3O3 — CID 3957636

IUPACN-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1
InChIInChI=1S/C18H15N3O3/c1-12(22)20-15-9-7-14(8-10-15)19-11-16-18(23)24-17(21-16)13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,22)/b19-11+
InChIKeyDGXFXBXJADVLCI-YBFXNURJSA-N
MW321.34 g/mol
LogP3.76
Rot. Bonds4

About N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide

N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide (PubChem CID 3957636) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
PubChem CID3957636
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1
InChIInChI=1S/C18H15N3O3/c1-12(22)20-15-9-7-14(8-10-15)19-11-16-18(23)24-17(21-16)13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,22)/b19-11+
InChIKeyDGXFXBXJADVLCI-YBFXNURJSA-N
XLogP3.76
TPSA87.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide (CID 3957636) is N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C/c2nc(-c3ccccc3)oc2O)cc1.
What is the InChIKey of N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide?
The InChIKey is DGXFXBXJADVLCI-YBFXNURJSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-12(22)20-15-9-7-14(8-10-15)19-11-16-18(23)24-17(21-16)13-5-3-2-4-6-13/h2-11,23H,1H3,(H,20,22)/b19-11+.
What are the key properties of N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide?
N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 3.76, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-hydroxy-2-phenyl-1,3-oxazol-4-yl)methylideneamino]phenyl]acetamide is sourced from PubChem (CID 3957636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).