1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea

C16H17N3O3 — CID 57175145

IUPAC1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
SMILESCC(C1C=C(c2ccc3ccccc3c2)NO1)N(O)C(N)=O
InChIInChI=1S/C16H17N3O3/c1-10(19(21)16(17)20)15-9-14(18-22-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-10,15,18,21H,1H3,(H2,17,20)
InChIKeyRPRUSPKXWBLDGY-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.24
Rot. Bonds3

About 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea

1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea (PubChem CID 57175145) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
PubChem CID57175145
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea
SMILESCC(C1C=C(c2ccc3ccccc3c2)NO1)N(O)C(N)=O
InChIInChI=1S/C16H17N3O3/c1-10(19(21)16(17)20)15-9-14(18-22-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-10,15,18,21H,1H3,(H2,17,20)
InChIKeyRPRUSPKXWBLDGY-UHFFFAOYSA-N
XLogP2.24
TPSA87.82 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The IUPAC name of 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea (CID 57175145) is 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The canonical SMILES for 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea is CC(C1C=C(c2ccc3ccccc3c2)NO1)N(O)C(N)=O.
What is the InChIKey of 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
The InChIKey is RPRUSPKXWBLDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-10(19(21)16(17)20)15-9-14(18-22-15)13-7-6-11-4-2-3-5-12(11)8-13/h2-10,15,18,21H,1H3,(H2,17,20).
What are the key properties of 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea?
1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea has a molecular weight of 299.33 g/mol, XLogP of 2.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1-[1-(3-naphthalen-2-yl-2,5-dihydro-1,2-oxazol-5-yl)ethyl]urea is sourced from PubChem (CID 57175145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).