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

C20H21N3O2 — CID 2738199

IUPAC1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1cc(C)cc(NC(=O)NCc2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C20H21N3O2/c1-13-9-14(2)11-17(10-13)22-20(24)21-12-18-15(3)25-23-19(18)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H2,21,22,24)
InChIKeyUPYFXFMMTMIQHP-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.59
Rot. Bonds4

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

1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea (PubChem CID 2738199) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
PubChem CID2738199
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
SMILESCc1cc(C)cc(NC(=O)NCc2c(-c3ccccc3)noc2C)c1
InChIInChI=1S/C20H21N3O2/c1-13-9-14(2)11-17(10-13)22-20(24)21-12-18-15(3)25-23-19(18)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H2,21,22,24)
InChIKeyUPYFXFMMTMIQHP-UHFFFAOYSA-N
XLogP4.59
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738197
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
1,3-bis(5-methyl-3-phenyl-1,2-oxazol-4-yl)urea
CID 2764630
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
CID 82371371
1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955580
1-(3-methylphenyl)-3-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]urea
CID 6461873
1-(3,5-dimethylphenyl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 113213875
2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-5-phenyl-1,2-thiazol-3-one
CID 90831233
methyl 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-1,2-oxazole-5-carboxylate
CID 67492296
1-(3,5-dimethylphenyl)-3-[[5-[hydroxy(phenyl)methyl]thiophen-2-yl]methyl]urea
CID 121134389
4-N,4-N-diethyl-1-N-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]benzene-1,4-diamine
CID 155563136
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-[4-(1-hydroxyethyl)phenyl]urea
CID 79231131

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea (CID 2738199) is 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea is Cc1cc(C)cc(NC(=O)NCc2c(-c3ccccc3)noc2C)c1.
What is the InChIKey of 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea?
The InChIKey is UPYFXFMMTMIQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-9-14(2)11-17(10-13)22-20(24)21-12-18-15(3)25-23-19(18)16-7-5-4-6-8-16/h4-11H,12H2,1-3H3,(H2,21,22,24).
What are the key properties of 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea?
1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea has a molecular weight of 335.41 g/mol, XLogP of 4.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 2738199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).