1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea

C19H25N3O3 — CID 111631266

IUPAC1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
SMILESCc1ccc(-c2nc(CNC(=O)NC3CCCCC3CO)co2)cc1
InChIInChI=1S/C19H25N3O3/c1-13-6-8-14(9-7-13)18-21-16(12-25-18)10-20-19(24)22-17-5-3-2-4-15(17)11-23/h6-9,12,15,17,23H,2-5,10-11H2,1H3,(H2,20,22,24)
InChIKeyVFUHCODWVNHJAV-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.00
Rot. Bonds5

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

1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea (PubChem CID 111631266) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea.

Molecular Properties

Compound Name1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
PubChem CID111631266
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC Name1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
SMILESCc1ccc(-c2nc(CNC(=O)NC3CCCCC3CO)co2)cc1
InChIInChI=1S/C19H25N3O3/c1-13-6-8-14(9-7-13)18-21-16(12-25-18)10-20-19(24)22-17-5-3-2-4-15(17)11-23/h6-9,12,15,17,23H,2-5,10-11H2,1H3,(H2,20,22,24)
InChIKeyVFUHCODWVNHJAV-UHFFFAOYSA-N
XLogP3.00
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea with MolForge

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 111509610
1-cyclopentyl-2-methyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]guanidine;hydroiodide
CID 111791017
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122004638
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 42930050
1-[2-(hydroxymethyl)cyclohexyl]-3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]urea
CID 111631177
1-[(1R,2S)-2-(hydroxymethyl)cyclohexyl]-3-[(3-methylthiophen-2-yl)methyl]urea
CID 97008021
1-[2-(hydroxymethyl)cyclohexyl]-3-(thiophen-2-ylmethyl)urea
CID 111630265
4-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 122000014
1-cyclopentyl-3-[(2-methyl-1,3-oxazol-4-yl)methyl]urea
CID 110747533
cis-(1S,3R)-2,2-dimethyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065712
N'-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441581
1-(5-hydroxy-4,4-dimethylpentyl)-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 111509622

Frequently Asked Questions

What is the IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The IUPAC name of 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea (CID 111631266) is 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea.
What is the SMILES notation for 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The canonical SMILES for 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea is Cc1ccc(-c2nc(CNC(=O)NC3CCCCC3CO)co2)cc1.
What is the InChIKey of 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
The InChIKey is VFUHCODWVNHJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13-6-8-14(9-7-13)18-21-16(12-25-18)10-20-19(24)22-17-5-3-2-4-15(17)11-23/h6-9,12,15,17,23H,2-5,10-11H2,1H3,(H2,20,22,24).
What are the key properties of 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea?
1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea has a molecular weight of 343.43 g/mol, XLogP of 3.00, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea is sourced from PubChem (CID 111631266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).