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

C19H19N3O3 — CID 2738197

IUPAC1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C19H19N3O3/c1-13-17(18(22-25-13)14-7-4-3-5-8-14)12-20-19(23)21-15-9-6-10-16(11-15)24-2/h3-11H,12H2,1-2H3,(H2,20,21,23)
InChIKeyPHSFWKCSUPXFRI-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.98
Rot. Bonds5

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

1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea (PubChem CID 2738197) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
PubChem CID2738197
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
SMILESCOc1cccc(NC(=O)NCc2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C19H19N3O3/c1-13-17(18(22-25-13)14-7-4-3-5-8-14)12-20-19(23)21-15-9-6-10-16(11-15)24-2/h3-11H,12H2,1-2H3,(H2,20,21,23)
InChIKeyPHSFWKCSUPXFRI-UHFFFAOYSA-N
XLogP3.98
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738199
1-(3-methoxyphenyl)-3-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]urea
CID 6463833
1-(3-methoxyphenyl)-3-[[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 100746710
N-[2-(3-methoxyanilino)-2-oxoethyl]-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 24818231
1-(3-methoxyphenyl)-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 86924588
4-[[(3-methoxyphenyl)carbamoylamino]methyl]benzoic acid
CID 108869139
1-(3-methoxyphenyl)-3-[(4-methylphenyl)methyl]urea
CID 3785527
1-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-3-(3-methoxyphenyl)urea
CID 122252739
N-(3-methoxyphenyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 100771875
1-[(3-methoxyphenyl)methyl]-3-(5-phenyl-1,2-oxazol-3-yl)urea
CID 108812811
1-ethyl-3-[3-(3-methoxyphenyl)phenyl]urea
CID 18977622
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(3-methoxyphenyl)methyl]urea
CID 52793571

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea (CID 2738197) is 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea is COc1cccc(NC(=O)NCc2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea?
The InChIKey is PHSFWKCSUPXFRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c1-13-17(18(22-25-13)14-7-4-3-5-8-14)12-20-19(23)21-15-9-6-10-16(11-15)24-2/h3-11H,12H2,1-2H3,(H2,20,21,23).
What are the key properties of 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea?
1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea has a molecular weight of 337.38 g/mol, XLogP of 3.98, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 2738197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).