1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea

C22H25N3O4 — CID 15289785

IUPAC1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea
SMILESCc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(C)c1CN(O)C(N)=O
InChIInChI=1S/C22H25N3O4/c1-14-11-18(12-15(2)19(14)13-25(27)22(23)26)28-10-9-20-16(3)29-21(24-20)17-7-5-4-6-8-17/h4-8,11-12,27H,9-10,13H2,1-3H3,(H2,23,26)
InChIKeyUNORFVHYMRMORO-UHFFFAOYSA-N
MW395.46 g/mol
LogP4.16
Rot. Bonds7

About 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea

1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea (PubChem CID 15289785) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea.

Molecular Properties

Compound Name1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea
PubChem CID15289785
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea
SMILESCc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(C)c1CN(O)C(N)=O
InChIInChI=1S/C22H25N3O4/c1-14-11-18(12-15(2)19(14)13-25(27)22(23)26)28-10-9-20-16(3)29-21(24-20)17-7-5-4-6-8-17/h4-8,11-12,27H,9-10,13H2,1-3H3,(H2,23,26)
InChIKeyUNORFVHYMRMORO-UHFFFAOYSA-N
XLogP4.16
TPSA101.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 54.16
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-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]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

Related Compounds

1-[[4-[2-[2-(3-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy]phenyl]methyl]-1-hydroxyurea
CID 10738851
1-hydroxy-3-methyl-1-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]urea
CID 15646286
3-[2-methyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoic acid
CID 58979220
2-[carboxymethyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 11189438
[carbamoyl-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino] phenyl carbonate
CID 15646285
3-amino-2-[[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl]methyl]-3-oxopropanoic acid
CID 10862268
2-[benzyl-[[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]amino]acetic acid
CID 16739272
1-[3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propan-2-one
CID 59067238
methyl (2S)-2-amino-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 10714801
methyl (2S)-2-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]naphthalen-2-yl]propanoate
CID 46837096
methyl 2-methyl-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]propanoate
CID 59948196
ethyl 2-methyl-2-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenoxy]propanoate
CID 11025958

Frequently Asked Questions

What is the IUPAC name of 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea?
The IUPAC name of 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea (CID 15289785) is 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea.
What is the SMILES notation for 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea?
The canonical SMILES for 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea is Cc1cc(OCCc2nc(-c3ccccc3)oc2C)cc(C)c1CN(O)C(N)=O.
What is the InChIKey of 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea?
The InChIKey is UNORFVHYMRMORO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-14-11-18(12-15(2)19(14)13-25(27)22(23)26)28-10-9-20-16(3)29-21(24-20)17-7-5-4-6-8-17/h4-8,11-12,27H,9-10,13H2,1-3H3,(H2,23,26).
What are the key properties of 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea?
1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea has a molecular weight of 395.46 g/mol, XLogP of 4.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,6-dimethyl-4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]phenyl]methyl]-1-hydroxyurea is sourced from PubChem (CID 15289785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).