1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea

C15H19N3O3 — CID 47863203

IUPAC1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea
SMILESCc1noc(C)c1CNC(=O)NCCOc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-11-14(12(2)21-18-11)10-17-15(19)16-8-9-20-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,16,17,19)
InChIKeyHRVXAVKQPSOUMP-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.17
Rot. Bonds6

About 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea (PubChem CID 47863203) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea.

Molecular Properties

Compound Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea
PubChem CID47863203
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea
SMILESCc1noc(C)c1CNC(=O)NCCOc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-11-14(12(2)21-18-11)10-17-15(19)16-8-9-20-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,16,17,19)
InChIKeyHRVXAVKQPSOUMP-UHFFFAOYSA-N
XLogP2.17
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-methoxyethyl)urea
CID 47856555
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[2-(2-fluorophenyl)ethyl]urea
CID 47862975
6-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]hexanoic acid
CID 79241741
1-(furan-2-ylmethyl)-3-(2-phenoxyethyl)urea
CID 47125764
1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-[[2-(hydroxymethyl)phenyl]methyl]urea
CID 111976785
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[(1R,2R)-2-phenylcyclopropyl]urea
CID 95302935
N-[2-(4-tert-butylphenoxy)ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 31974696
2-(4-bromophenoxy)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 78943613
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
CID 50960435
methyl 2-(2-phenoxyethylcarbamoylamino)acetate
CID 108887152
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
N-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-2-oxoethyl]benzamide
CID 47935404

Frequently Asked Questions

What is the IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea?
The IUPAC name of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea (CID 47863203) is 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea.
What is the SMILES notation for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea?
The canonical SMILES for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea is Cc1noc(C)c1CNC(=O)NCCOc1ccccc1.
What is the InChIKey of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea?
The InChIKey is HRVXAVKQPSOUMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-14(12(2)21-18-11)10-17-15(19)16-8-9-20-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,16,17,19).
What are the key properties of 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea?
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea has a molecular weight of 289.33 g/mol, XLogP of 2.17, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(2-phenoxyethyl)urea is sourced from PubChem (CID 47863203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).