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

C20H21N3O2 — CID 56823586

IUPAC1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
SMILESCc1ccccc1NC(=O)NCCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C20H21N3O2/c1-14-8-6-7-11-17(14)23-20(24)21-13-12-18-15(2)25-19(22-18)16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H2,21,23,24)
InChIKeyWRQVOFRWWKBDDN-UHFFFAOYSA-N
MW335.41 g/mol
LogP4.32
Rot. Bonds5

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

1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea (PubChem CID 56823586) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea.

Molecular Properties

Compound Name1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
PubChem CID56823586
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea
SMILESCc1ccccc1NC(=O)NCCc1nc(-c2ccccc2)oc1C
InChIInChI=1S/C20H21N3O2/c1-14-8-6-7-11-17(14)23-20(24)21-13-12-18-15(2)25-19(22-18)16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H2,21,23,24)
InChIKeyWRQVOFRWWKBDDN-UHFFFAOYSA-N
XLogP4.32
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-3-(2-phenylpyrazol-3-yl)urea
CID 165368483
2-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-phenylbenzamide
CID 166367592
1-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 20955623
4-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]furan-3-carboxamide
CID 166367638
2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166296297
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
CID 166218441
N-[2-[5-methyl-2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]acetamide
CID 110415002
3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide
CID 166367611
5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 146152159

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea?
The IUPAC name of 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea (CID 56823586) is 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea.
What is the SMILES notation for 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea?
The canonical SMILES for 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea is Cc1ccccc1NC(=O)NCCc1nc(-c2ccccc2)oc1C.
What is the InChIKey of 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea?
The InChIKey is WRQVOFRWWKBDDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-14-8-6-7-11-17(14)23-20(24)21-13-12-18-15(2)25-19(22-18)16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H2,21,23,24).
What are the key properties of 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea?
1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea has a molecular weight of 335.41 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylphenyl)-3-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]urea is sourced from PubChem (CID 56823586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).