1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C15H19N3O3 — CID 112972181

IUPAC1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCCc1ccc(OCCNC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H19N3O3/c1-3-12-4-6-13(7-5-12)20-9-8-16-15(19)17-14-10-11(2)21-18-14/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyHVXHQYATZJPOMR-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.75
Rot. Bonds6

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

1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 112972181) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID112972181
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCCc1ccc(OCCNC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H19N3O3/c1-3-12-4-6-13(7-5-12)20-9-8-16-15(19)17-14-10-11(2)21-18-14/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17,18,19)
InChIKeyHVXHQYATZJPOMR-UHFFFAOYSA-N
XLogP2.75
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.75
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-(2,4-dimethylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972093
ethyl N-[2-[(5-methyl-1,2-oxazol-3-yl)carbamoylamino]ethyl]carbamate
CID 108812202
1-[2-(4-chloro-3-methylphenoxy)ethyl]-3-(4-ethylphenyl)urea
CID 112976719
1-(4-bromophenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972120
1-[(3,4-dimethylphenoxy)methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108879137
1-(4-ethylphenyl)-3-[2-(4-fluorophenoxy)ethyl]urea
CID 112970481
N-(5-methyl-1,2-oxazol-3-yl)-3-(3-phenoxypropanoylamino)propanamide
CID 110370366
1-(2-ethyl-6-methylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972102
1-(2-chloroethyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812112
(2S)-2-(4-ethylphenoxy)-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 40636839
1-(4-tert-butylphenyl)-3-[2-(4-ethylphenoxy)ethyl]urea
CID 112972107
1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 112972181) is 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is CCc1ccc(OCCNC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is HVXHQYATZJPOMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-12-4-6-13(7-5-12)20-9-8-16-15(19)17-14-10-11(2)21-18-14/h4-7,10H,3,8-9H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 289.34 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethylphenoxy)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 112972181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).