1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea

C15H19N3O3 — CID 51264449

IUPAC1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1ccc(C)cc1C(C)NC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H19N3O3/c1-9-5-6-13(20-4)12(7-9)11(3)16-15(19)17-14-8-10(2)21-18-14/h5-8,11H,1-4H3,(H2,16,17,18,19)
InChIKeyWKSXAQHUHAVQEE-UHFFFAOYSA-N
MW289.34 g/mol
LogP3.18
Rot. Bonds4

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

1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (PubChem CID 51264449) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.

Molecular Properties

Compound Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
PubChem CID51264449
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
SMILESCOc1ccc(C)cc1C(C)NC(=O)Nc1cc(C)on1
InChIInChI=1S/C15H19N3O3/c1-9-5-6-13(20-4)12(7-9)11(3)16-15(19)17-14-8-10(2)21-18-14/h5-8,11H,1-4H3,(H2,16,17,18,19)
InChIKeyWKSXAQHUHAVQEE-UHFFFAOYSA-N
XLogP3.18
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)butanamide
CID 35787670
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
1-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]-3-phenylurea
CID 41077139
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-[1-(2-methylphenyl)ethyl]urea
CID 42928249
1-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94031272
(2R)-2-[2-[[(1S)-1-(2,5-dimethoxyphenyl)ethyl]amino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 9478004
N-(2-methoxy-5-methylphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108955831
1-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-3-[(1R)-1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 51945224
2-chloro-N-[1-(2-methoxy-5-methylphenyl)ethyl]propanamide
CID 43697668
1-(1-hydroxybutan-2-yl)-3-[1-(2-methoxy-5-methylphenyl)ethyl]urea
CID 110892420
2-methoxy-N-[1-(2-methoxy-5-methylphenyl)ethyl]acetamide
CID 47116871

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The IUPAC name of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea (CID 51264449) is 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea.
What is the SMILES notation for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The canonical SMILES for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is COc1ccc(C)cc1C(C)NC(=O)Nc1cc(C)on1.
What is the InChIKey of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
The InChIKey is WKSXAQHUHAVQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-5-6-13(20-4)12(7-9)11(3)16-15(19)17-14-8-10(2)21-18-14/h5-8,11H,1-4H3,(H2,16,17,18,19).
What are the key properties of 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea?
1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea has a molecular weight of 289.34 g/mol, XLogP of 3.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxy-5-methylphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea is sourced from PubChem (CID 51264449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).