1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea

C21H23N3O3 — CID 20955528

IUPAC1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
SMILESCCOc1ccc(NC(=O)NCc2nc(-c3ccc(C)cc3)oc2C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-26-18-11-9-17(10-12-18)23-21(25)22-13-19-15(3)27-20(24-19)16-7-5-14(2)6-8-16/h5-12H,4,13H2,1-3H3,(H2,22,23,25)
InChIKeyRFYAEAACTWSKJG-UHFFFAOYSA-N
MW365.43 g/mol
LogP4.68
Rot. Bonds6

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

1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea (PubChem CID 20955528) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
PubChem CID20955528
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Name1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
SMILESCCOc1ccc(NC(=O)NCc2nc(-c3ccc(C)cc3)oc2C)cc1
InChIInChI=1S/C21H23N3O3/c1-4-26-18-11-9-17(10-12-18)23-21(25)22-13-19-15(3)27-20(24-19)16-7-5-14(2)6-8-16/h5-12H,4,13H2,1-3H3,(H2,22,23,25)
InChIKeyRFYAEAACTWSKJG-UHFFFAOYSA-N
XLogP4.68
TPSA76.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 54.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955580
1-cyclopentyl-3-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955548
1-(3,4-dimethylphenyl)-3-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]urea
CID 20955588
1-(4-fluorophenyl)-3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]urea
CID 20955490
N-(4-ethoxyphenyl)-4-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperazine-1-carboxamide
CID 20955460
N-(4-ethoxyphenyl)-4-[5-methyl-4-(phenylsulfanylmethyl)-1,3-oxazol-2-yl]benzamide
CID 46277718
1-(5-chloro-2-methylphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 20955713
4-ethoxy-N-[4-[5-methyl-4-[(3,4,5-trimethylpyrazol-1-yl)methyl]-1,3-oxazol-2-yl]phenyl]benzamide
CID 71837292
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-propylacetamide
CID 4638993
N'-(4-ethoxyphenyl)-N-(4-methylphenyl)oxamide
CID 44995934
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-phenylurea
CID 46344183
2-[[2-(4-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 4638991

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The IUPAC name of 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea (CID 20955528) is 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea.
What is the SMILES notation for 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The canonical SMILES for 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea is CCOc1ccc(NC(=O)NCc2nc(-c3ccc(C)cc3)oc2C)cc1.
What is the InChIKey of 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The InChIKey is RFYAEAACTWSKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-4-26-18-11-9-17(10-12-18)23-21(25)22-13-19-15(3)27-20(24-19)16-7-5-14(2)6-8-16/h5-12H,4,13H2,1-3H3,(H2,22,23,25).
What are the key properties of 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea has a molecular weight of 365.43 g/mol, XLogP of 4.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxyphenyl)-3-[[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea is sourced from PubChem (CID 20955528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).