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

C19H24FN3O2 — CID 71970862

IUPAC1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
SMILESCc1noc(C)c1C(C)NC(=O)N(Cc1ccccc1F)C1CCC1
InChIInChI=1S/C19H24FN3O2/c1-12(18-13(2)22-25-14(18)3)21-19(24)23(16-8-6-9-16)11-15-7-4-5-10-17(15)20/h4-5,7,10,12,16H,6,8-9,11H2,1-3H3,(H,21,24)
InChIKeyLGOIFXSDZHOEBJ-UHFFFAOYSA-N
MW345.42 g/mol
LogP4.26
Rot. Bonds5

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

1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea (PubChem CID 71970862) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea.

Molecular Properties

Compound Name1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
PubChem CID71970862
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
SMILESCc1noc(C)c1C(C)NC(=O)N(Cc1ccccc1F)C1CCC1
InChIInChI=1S/C19H24FN3O2/c1-12(18-13(2)22-25-14(18)3)21-19(24)23(16-8-6-9-16)11-15-7-4-5-10-17(15)20/h4-5,7,10,12,16H,6,8-9,11H2,1-3H3,(H,21,24)
InChIKeyLGOIFXSDZHOEBJ-UHFFFAOYSA-N
XLogP4.26
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-pyridin-3-ylethyl]urea
CID 97320644
1-cyclobutyl-3-[(1R)-1-(1,3-dimethylpyrazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea
CID 97224559
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]urea
CID 97224567
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2S)-1-morpholin-4-ylpropan-2-yl]urea
CID 97224410
(2S)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1S)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 97241827
(2R)-2-(2,6-difluorophenyl)-2-(dimethylamino)-N-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]acetamide
CID 97241824
1-cyclobutyl-1-[(2-fluorophenyl)methyl]-3-[(2R)-1-(1,2,4-triazol-1-yl)propan-2-yl]urea
CID 97224479
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(2-hydroxyphenyl)acetamide
CID 78961689
1-[(1R)-1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-[3-(2-fluorophenoxy)propyl]urea
CID 95904909
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-sulfanylbenzamide
CID 107032001
2-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-N-(1-phenylethyl)acetamide
CID 18088884
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2,2-difluoroacetamide
CID 103515802

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea?
The IUPAC name of 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea (CID 71970862) is 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea.
What is the SMILES notation for 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea?
The canonical SMILES for 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea is Cc1noc(C)c1C(C)NC(=O)N(Cc1ccccc1F)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea?
The InChIKey is LGOIFXSDZHOEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(18-13(2)22-25-14(18)3)21-19(24)23(16-8-6-9-16)11-15-7-4-5-10-17(15)20/h4-5,7,10,12,16H,6,8-9,11H2,1-3H3,(H,21,24).
What are the key properties of 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea?
1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea has a molecular weight of 345.42 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[(2-fluorophenyl)methyl]urea is sourced from PubChem (CID 71970862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).