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

C15H18FN3O3 — CID 97251637

IUPAC1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCOc1cc([C@@H](C)NC(=O)NCc2cc(C)on2)ccc1F
InChIInChI=1S/C15H18FN3O3/c1-9-6-12(19-22-9)8-17-15(20)18-10(2)11-4-5-13(16)14(7-11)21-3/h4-7,10H,8H2,1-3H3,(H2,17,18,20)/t10-/m1/s1
InChIKeyFBXGJIRJIXXFCJ-SNVBAGLBSA-N
MW307.33 g/mol
LogP2.69
Rot. Bonds5

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

1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (PubChem CID 97251637) has the molecular formula C15H18FN3O3 and a molecular weight of 307.33 g/mol. Its IUPAC name is 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.

Molecular Properties

Compound Name1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
PubChem CID97251637
Molecular FormulaC15H18FN3O3
Molecular Weight307.33 g/mol
Exact Mass307.13
IUPAC Name1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
SMILESCOc1cc([C@@H](C)NC(=O)NCc2cc(C)on2)ccc1F
InChIInChI=1S/C15H18FN3O3/c1-9-6-12(19-22-9)8-17-15(20)18-10(2)11-4-5-13(16)14(7-11)21-3/h4-7,10H,8H2,1-3H3,(H2,17,18,20)/t10-/m1/s1
InChIKeyFBXGJIRJIXXFCJ-SNVBAGLBSA-N
XLogP2.69
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.33
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea with MolForge

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Related Compounds

1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94016916
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
1-[1-(3,4-difluorophenyl)ethyl]-3-[(3,4-dimethoxyphenyl)methyl]urea
CID 51274117
1-(4-fluoro-3-methoxyphenyl)-3-[[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl]urea
CID 72939283
1-(4-fluoro-3-methoxyphenyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]ethanamine
CID 82993682
1-(3,4-difluorophenyl)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]ethanamine
CID 60694808
1-[(1R)-1-[3-methoxy-4-(2-methoxyethoxy)phenyl]ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 94031272
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
1-[1-(4-methoxyphenyl)ethyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812106
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]-2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxamide
CID 46523496
1-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 47760357
1-[(2R)-2-(3-fluorophenoxy)propyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea
CID 96518547

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The IUPAC name of 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea (CID 97251637) is 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea.
What is the SMILES notation for 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The canonical SMILES for 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is COc1cc([C@@H](C)NC(=O)NCc2cc(C)on2)ccc1F.
What is the InChIKey of 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
The InChIKey is FBXGJIRJIXXFCJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H18FN3O3/c1-9-6-12(19-22-9)8-17-15(20)18-10(2)11-4-5-13(16)14(7-11)21-3/h4-7,10H,8H2,1-3H3,(H2,17,18,20)/t10-/m1/s1.
What are the key properties of 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea?
1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea has a molecular weight of 307.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(4-fluoro-3-methoxyphenyl)ethyl]-3-[(5-methyl-1,2-oxazol-3-yl)methyl]urea is sourced from PubChem (CID 97251637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).