1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea

C14H23N3O2 — CID 49120592

IUPAC1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC2CCCC(C)C2C)on1
InChIInChI=1S/C14H23N3O2/c1-9-5-4-6-13(11(9)3)16-14(18)15-8-12-7-10(2)17-19-12/h7,9,11,13H,4-6,8H2,1-3H3,(H2,15,16,18)
InChIKeyAFRAIEFNPVSTSZ-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.61
Rot. Bonds3

About 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea

1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (PubChem CID 49120592) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.

Molecular Properties

Compound Name1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
PubChem CID49120592
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
SMILESCc1cc(CNC(=O)NC2CCCC(C)C2C)on1
InChIInChI=1S/C14H23N3O2/c1-9-5-4-6-13(11(9)3)16-14(18)15-8-12-7-10(2)17-19-12/h7,9,11,13H,4-6,8H2,1-3H3,(H2,15,16,18)
InChIKeyAFRAIEFNPVSTSZ-UHFFFAOYSA-N
XLogP2.61
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea with MolForge

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Related Compounds

N-[(1R,2R,3S)-2,3-dimethylcyclohexyl]-2-[(3-methyl-1,2-oxazol-5-yl)methylsulfanyl]acetamide
CID 25380722
1-(cyclooctylmethyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 71881577
1-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017221
1-ethyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea
CID 53017228
1-(2,3-dimethylcyclohexyl)-3-(pyridin-2-ylmethyl)urea
CID 47125969
1-[(3-cyclopropyl-1,2-oxazol-5-yl)methyl]-3-(3-methyl-1,2-oxazol-5-yl)urea
CID 167934119
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 128994464
2-methyl-5-[[(2-methylcyclohexyl)carbamoylamino]methyl]furan-3-carboxylic acid
CID 61191190
methyl N-[(3-methyl-1,2-oxazol-5-yl)methyl]carbamate
CID 115598489
2,2,3-trimethyl-3-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]butanoic acid
CID 65263958
2-ethyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopentan-1-amine
CID 115717519
N-(2,3-dimethylcyclohexyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 42887904

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The IUPAC name of 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea (CID 49120592) is 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea.
What is the SMILES notation for 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The canonical SMILES for 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is Cc1cc(CNC(=O)NC2CCCC(C)C2C)on1.
What is the InChIKey of 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
The InChIKey is AFRAIEFNPVSTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-5-4-6-13(11(9)3)16-14(18)15-8-12-7-10(2)17-19-12/h7,9,11,13H,4-6,8H2,1-3H3,(H2,15,16,18).
What are the key properties of 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea?
1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea has a molecular weight of 265.36 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylcyclohexyl)-3-[(3-methyl-1,2-oxazol-5-yl)methyl]urea is sourced from PubChem (CID 49120592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).