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

C16H28N4O3 — CID 138047569

IUPAC1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
SMILESCN(C)Cc1nc(CNC(=O)NCC2(C)CCCCC2O)co1
InChIInChI=1S/C16H28N4O3/c1-16(7-5-4-6-13(16)21)11-18-15(22)17-8-12-10-23-14(19-12)9-20(2)3/h10,13,21H,4-9,11H2,1-3H3,(H2,17,18,22)
InChIKeyYOIMZGNPMHJRGS-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.48
Rot. Bonds6

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

1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea (PubChem CID 138047569) has the molecular formula C16H28N4O3 and a molecular weight of 324.43 g/mol. Its IUPAC name is 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
PubChem CID138047569
Molecular FormulaC16H28N4O3
Molecular Weight324.43 g/mol
Exact Mass324.22
IUPAC Name1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea
SMILESCN(C)Cc1nc(CNC(=O)NCC2(C)CCCCC2O)co1
InChIInChI=1S/C16H28N4O3/c1-16(7-5-4-6-13(16)21)11-18-15(22)17-8-12-10-23-14(19-12)9-20(2)3/h10,13,21H,4-9,11H2,1-3H3,(H2,17,18,22)
InChIKeyYOIMZGNPMHJRGS-UHFFFAOYSA-N
XLogP1.48
TPSA90.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The IUPAC name of 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea (CID 138047569) is 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The canonical SMILES for 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea is CN(C)Cc1nc(CNC(=O)NCC2(C)CCCCC2O)co1.
What is the InChIKey of 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
The InChIKey is YOIMZGNPMHJRGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O3/c1-16(7-5-4-6-13(16)21)11-18-15(22)17-8-12-10-23-14(19-12)9-20(2)3/h10,13,21H,4-9,11H2,1-3H3,(H2,17,18,22).
What are the key properties of 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea?
1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea has a molecular weight of 324.43 g/mol, XLogP of 1.48, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(dimethylamino)methyl]-1,3-oxazol-4-yl]methyl]-3-[(2-hydroxy-1-methylcyclohexyl)methyl]urea is sourced from PubChem (CID 138047569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).