1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea

C16H21N3O2S — CID 42930050

IUPAC1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
SMILESCC1CCCCC1NC(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C16H21N3O2S/c1-11-5-2-3-6-13(11)19-16(20)17-9-12-10-21-15(18-12)14-7-4-8-22-14/h4,7-8,10-11,13H,2-3,5-6,9H2,1H3,(H2,17,19,20)
InChIKeyFWIGTUPUUPFEEX-UHFFFAOYSA-N
MW319.43 g/mol
LogP3.78
Rot. Bonds4

About 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea

1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea (PubChem CID 42930050) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea.

Molecular Properties

Compound Name1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
PubChem CID42930050
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
SMILESCC1CCCCC1NC(=O)NCc1coc(-c2cccs2)n1
InChIInChI=1S/C16H21N3O2S/c1-11-5-2-3-6-13(11)19-16(20)17-9-12-10-21-15(18-12)14-7-4-8-22-14/h4,7-8,10-11,13H,2-3,5-6,9H2,1H3,(H2,17,19,20)
InChIKeyFWIGTUPUUPFEEX-UHFFFAOYSA-N
XLogP3.78
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea with MolForge

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Related Compounds

1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide
CID 119698090
2-methyl-1-(2-methylcyclopropyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]guanidine
CID 111960945
1-amino-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119698089
(2R,6R)-2,6-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]morpholine-4-carboxamide
CID 40876316
N-(2-methylpiperidin-4-yl)-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetamide
CID 120599740
methyl N-[4-[[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylcarbamoylamino]methyl]phenyl]carbamate
CID 86994732
N',4-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide
CID 111210817
1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 111631266
1-[2-(aminomethyl)-3-methylpiperidin-1-yl]-2-(2-thiophen-2-yl-1,3-oxazol-4-yl)ethanone;dihydrochloride
CID 119596982
N',3-dimethyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidine-1-carboximidamide;hydroiodide
CID 111144851
1-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea
CID 86884444
4-(aminomethyl)-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]oxane-4-carboxamide
CID 120920453

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea?
The IUPAC name of 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea (CID 42930050) is 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea.
What is the SMILES notation for 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea?
The canonical SMILES for 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea is CC1CCCCC1NC(=O)NCc1coc(-c2cccs2)n1.
What is the InChIKey of 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea?
The InChIKey is FWIGTUPUUPFEEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-5-2-3-6-13(11)19-16(20)17-9-12-10-21-15(18-12)14-7-4-8-22-14/h4,7-8,10-11,13H,2-3,5-6,9H2,1H3,(H2,17,19,20).
What are the key properties of 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea?
1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea has a molecular weight of 319.43 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclohexyl)-3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]urea is sourced from PubChem (CID 42930050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).