1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea

C18H17N3O2S — CID 87007829

IUPAC1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESCSc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O2S/c1-24-16-10-6-5-9-14(16)21-18(22)20-12-17-19-11-15(23-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyXWIOOFBKIJFEMC-UHFFFAOYSA-N
MW339.42 g/mol
LogP4.39
Rot. Bonds5

About 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea

1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (PubChem CID 87007829) has the molecular formula C18H17N3O2S and a molecular weight of 339.42 g/mol. Its IUPAC name is 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
PubChem CID87007829
Molecular FormulaC18H17N3O2S
Molecular Weight339.42 g/mol
Exact Mass339.10
IUPAC Name1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
SMILESCSc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)o1
InChIInChI=1S/C18H17N3O2S/c1-24-16-10-6-5-9-14(16)21-18(22)20-12-17-19-11-15(23-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,20,21,22)
InChIKeyXWIOOFBKIJFEMC-UHFFFAOYSA-N
XLogP4.39
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]propanamide
CID 99626152
2-hydroxy-2-phenyl-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 111536667
1-benzyl-3-(2-methylsulfanylphenyl)urea
CID 47125363
N-[(5-phenyl-1,3-oxazol-2-yl)methyl]butanamide
CID 47176259
1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588
1-(5,5-dimethylhexyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86890674
1-[(1-hydroxycyclohexyl)methyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 110936606
tert-butyl N-[2-fluoro-5-[(5-phenyl-1,3-oxazol-2-yl)methylcarbamoylamino]phenyl]carbamate
CID 86970309
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 71869969
1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 96518506
1-[3-(difluoromethoxy)-4-methoxyphenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 87007797
1-[3-(benzylsulfinylmethyl)phenyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86962676

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The IUPAC name of 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea (CID 87007829) is 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea.
What is the SMILES notation for 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The canonical SMILES for 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is CSc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)o1.
What is the InChIKey of 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
The InChIKey is XWIOOFBKIJFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2S/c1-24-16-10-6-5-9-14(16)21-18(22)20-12-17-19-11-15(23-17)13-7-3-2-4-8-13/h2-11H,12H2,1H3,(H2,20,21,22).
What are the key properties of 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea?
1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea has a molecular weight of 339.42 g/mol, XLogP of 4.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea is sourced from PubChem (CID 87007829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).