1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea

C15H19N3O3 — CID 71982689

IUPAC1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea
SMILESCc1noc(C)c1NC(=O)NCCOCc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-11-14(12(2)21-18-11)17-15(19)16-8-9-20-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,16,17,19)
InChIKeyKQAAUDKVXIMLFW-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.63
Rot. Bonds6

About 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea

1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea (PubChem CID 71982689) 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)-3-(2-phenylmethoxyethyl)urea.

Molecular Properties

Compound Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea
PubChem CID71982689
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea
SMILESCc1noc(C)c1NC(=O)NCCOCc1ccccc1
InChIInChI=1S/C15H19N3O3/c1-11-14(12(2)21-18-11)17-15(19)16-8-9-20-10-13-6-4-3-5-7-13/h3-7H,8-10H2,1-2H3,(H2,16,17,19)
InChIKeyKQAAUDKVXIMLFW-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
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-phenyl-3-(2-phenylmethoxyethyl)urea
CID 56923115
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 75462467
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-fluorophenyl)methyl]urea
CID 47480737
1-[(1S,2R)-2-methylcyclopropyl]-3-(2-phenylmethoxyethyl)urea
CID 96831919
1-[(3,4-dimethoxyphenyl)methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 52793572
tert-butyl N-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethyl]carbamate
CID 140765220
1-[[1-(benzenesulfonyl)piperidin-4-yl]methyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)urea
CID 2810659
N-(3,5-dimethyl-1,2-oxazol-4-yl)-4-(methoxymethyl)benzamide
CID 60600533
1-methyl-3-(3-phenylmethoxypropyl)urea
CID 47127496
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]urea
CID 95326935
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-4-phenylmethoxybutanamide
CID 49377141

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea?
The IUPAC name of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea (CID 71982689) is 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea.
What is the SMILES notation for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea?
The canonical SMILES for 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea is Cc1noc(C)c1NC(=O)NCCOCc1ccccc1.
What is the InChIKey of 1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea?
The InChIKey is KQAAUDKVXIMLFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-11-14(12(2)21-18-11)17-15(19)16-8-9-20-10-13-6-4-3-5-7-13/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)-3-(2-phenylmethoxyethyl)urea?
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-(2-phenylmethoxyethyl)urea has a molecular weight of 289.33 g/mol, XLogP of 2.63, 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)-3-(2-phenylmethoxyethyl)urea is sourced from PubChem (CID 71982689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).