ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen

C23H37N3O2 — CID 143052396

IUPACethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
SMILESCC.CC.Cc1ccc(Cc2ccc(NC(=O)Nc3cc(C)on3)cc2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H19N3O2.2C2H6.3H2/c1-13-3-5-15(6-4-13)12-16-7-9-17(10-8-16)20-19(23)21-18-11-14(2)24-22-18;2*1-2;;;/h3-11H,12H2,1-2H3,(H2,20,21,22,23);2*1-2H3;3*1H
InChIKeyRJAANJZOKAFAJC-UHFFFAOYSA-N
MW387.57 g/mol
LogP7.32
Rot. Bonds4

About ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen

ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen (PubChem CID 143052396) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen.

Molecular Properties

Compound Nameethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
PubChem CID143052396
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC Nameethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen
SMILESCC.CC.Cc1ccc(Cc2ccc(NC(=O)Nc3cc(C)on3)cc2)cc1.[H][H].[H][H].[H][H]
InChIInChI=1S/C19H19N3O2.2C2H6.3H2/c1-13-3-5-15(6-4-13)12-16-7-9-17(10-8-16)20-19(23)21-18-11-14(2)24-22-18;2*1-2;;;/h3-11H,12H2,1-2H3,(H2,20,21,22,23);2*1-2H3;3*1H
InChIKeyRJAANJZOKAFAJC-UHFFFAOYSA-N
XLogP7.32
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 57.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
1-(4-aminophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812089
1-[4-[1-(methylamino)ethyl]phenyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 61339817
N'-(5-methyl-1,2-oxazol-3-yl)-N-[(4-methylphenyl)methyl]oxamide
CID 44996026
1-(3,5-dihydroxyphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108895478
1-(3,5-dichlorophenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 6467048
1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812172
5-methyl-N-(4-methylphenyl)-1,2-oxazole-3-carboxamide
CID 3236095
1-[4-[[bis[[4-[(4-methylphenyl)carbamoylamino]phenyl]methyl]amino]methyl]phenyl]-3-(4-methylphenyl)urea
CID 72544901
1-(5-methyl-1,2-oxazol-3-yl)-3-pyridin-3-ylurea
CID 47129987
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
CID 2740796
1-[4-(hydroxymethyl)phenyl]-3-(4-methylphenyl)urea
CID 64794146

Frequently Asked Questions

What is the IUPAC name of ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen?
The IUPAC name of ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen (CID 143052396) is ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen.
What is the SMILES notation for ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen?
The canonical SMILES for ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen is CC.CC.Cc1ccc(Cc2ccc(NC(=O)Nc3cc(C)on3)cc2)cc1.[H][H].[H][H].[H][H].
What is the InChIKey of ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen?
The InChIKey is RJAANJZOKAFAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2.2C2H6.3H2/c1-13-3-5-15(6-4-13)12-16-7-9-17(10-8-16)20-19(23)21-18-11-14(2)24-22-18;2*1-2;;;/h3-11H,12H2,1-2H3,(H2,20,21,22,23);2*1-2H3;3*1H.
What are the key properties of ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen?
ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen has a molecular weight of 387.57 g/mol, XLogP of 7.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(5-methyl-1,2-oxazol-3-yl)-3-[4-[(4-methylphenyl)methyl]phenyl]urea;molecular hydrogen is sourced from PubChem (CID 143052396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).