1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea

C19H18ClN3O4 — CID 10834115

IUPAC1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea
SMILESCc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(O)C(N)=O)c1
InChIInChI=1S/C19H18ClN3O4/c1-12-17(22-18(27-12)14-5-7-15(20)8-6-14)11-26-16-4-2-3-13(9-16)10-23(25)19(21)24/h2-9,25H,10-11H2,1H3,(H2,21,24)
InChIKeyNMDYSEZVUKKJER-UHFFFAOYSA-N
MW387.82 g/mol
LogP4.15
Rot. Bonds6

About 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea

1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea (PubChem CID 10834115) has the molecular formula C19H18ClN3O4 and a molecular weight of 387.82 g/mol. Its IUPAC name is 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea
PubChem CID10834115
Molecular FormulaC19H18ClN3O4
Molecular Weight387.82 g/mol
Exact Mass387.10
IUPAC Name1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea
SMILESCc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(O)C(N)=O)c1
InChIInChI=1S/C19H18ClN3O4/c1-12-17(22-18(27-12)14-5-7-15(20)8-6-14)11-26-16-4-2-3-13(9-16)10-23(25)19(21)24/h2-9,25H,10-11H2,1H3,(H2,21,24)
InChIKeyNMDYSEZVUKKJER-UHFFFAOYSA-N
XLogP4.15
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.82
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea 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-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea (CID 10834115) is 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea is Cc1oc(-c2ccc(Cl)cc2)nc1COc1cccc(CN(O)C(N)=O)c1.
What is the InChIKey of 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea?
The InChIKey is NMDYSEZVUKKJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O4/c1-12-17(22-18(27-12)14-5-7-15(20)8-6-14)11-26-16-4-2-3-13(9-16)10-23(25)19(21)24/h2-9,25H,10-11H2,1H3,(H2,21,24).
What are the key properties of 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea?
1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea has a molecular weight of 387.82 g/mol, XLogP of 4.15, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]phenyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 10834115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).