3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea

C19H27N3O3 — CID 71869863

IUPAC3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
SMILESCOc1ccccc1CC(C)N(C)C(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C19H27N3O3/c1-12(11-16-9-7-8-10-17(16)24-6)22(5)19(23)20-13(2)18-14(3)21-25-15(18)4/h7-10,12-13H,11H2,1-6H3,(H,20,23)
InChIKeyLQEBCJNHURACAO-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.63
Rot. Bonds6

About 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea

3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea (PubChem CID 71869863) has the molecular formula C19H27N3O3 and a molecular weight of 345.44 g/mol. Its IUPAC name is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea.

Molecular Properties

Compound Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
PubChem CID71869863
Molecular FormulaC19H27N3O3
Molecular Weight345.44 g/mol
Exact Mass345.21
IUPAC Name3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
SMILESCOc1ccccc1CC(C)N(C)C(=O)NC(C)c1c(C)noc1C
InChIInChI=1S/C19H27N3O3/c1-12(11-16-9-7-8-10-17(16)24-6)22(5)19(23)20-13(2)18-14(3)21-25-15(18)4/h7-10,12-13H,11H2,1-6H3,(H,20,23)
InChIKeyLQEBCJNHURACAO-UHFFFAOYSA-N
XLogP3.63
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea with MolForge

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Related Compounds

3-ethyl-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea
CID 71994436
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
1-[1-(2-methoxyphenyl)propan-2-yl]-1-methyl-3-propylurea
CID 115660984
methyl 2-[1-(2-methoxyphenyl)propan-2-yl-methylamino]-2-oxoacetate
CID 112617368
2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl-methylcarbamoyl]propanamide
CID 65488311
3-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methyl-3-sulfanylidenepropanamide
CID 65486697
2-amino-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide;hydrochloride
CID 119319100
2-(2-aminophenoxy)-N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 79224343
1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 71970862
3-(ethylamino)-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylpropanamide
CID 65488019
N-[(2R)-1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 96567463
N-[1-(2-methoxyphenyl)propan-2-yl]-N,6-dimethylpyridine-2-carboxamide
CID 71994211

Frequently Asked Questions

What is the IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea?
The IUPAC name of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea (CID 71869863) is 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea.
What is the SMILES notation for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea?
The canonical SMILES for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea is COc1ccccc1CC(C)N(C)C(=O)NC(C)c1c(C)noc1C.
What is the InChIKey of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea?
The InChIKey is LQEBCJNHURACAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O3/c1-12(11-16-9-7-8-10-17(16)24-6)22(5)19(23)20-13(2)18-14(3)21-25-15(18)4/h7-10,12-13H,11H2,1-6H3,(H,20,23).
What are the key properties of 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea?
3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea has a molecular weight of 345.44 g/mol, XLogP of 3.63, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[1-(2-methoxyphenyl)propan-2-yl]-1-methylurea is sourced from PubChem (CID 71869863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).