3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

C18H32N4O2 — CID 94097246

IUPAC3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NC[C@@H](C1CCCCC1)N(C)C
InChIInChI=1S/C18H32N4O2/c1-13-16(14(2)24-20-13)12-22(5)18(23)19-11-17(21(3)4)15-9-7-6-8-10-15/h15,17H,6-12H2,1-5H3,(H,19,23)/t17-/m0/s1
InChIKeyDGCRHJIHIDOFSE-KRWDZBQOSA-N
MW336.48 g/mol
LogP2.94
Rot. Bonds6

About 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea

3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (PubChem CID 94097246) has the molecular formula C18H32N4O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.

Molecular Properties

Compound Name3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
PubChem CID94097246
Molecular FormulaC18H32N4O2
Molecular Weight336.48 g/mol
Exact Mass336.25
IUPAC Name3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
SMILESCc1noc(C)c1CN(C)C(=O)NC[C@@H](C1CCCCC1)N(C)C
InChIInChI=1S/C18H32N4O2/c1-13-16(14(2)24-20-13)12-22(5)18(23)19-11-17(21(3)4)15-9-7-6-8-10-15/h15,17H,6-12H2,1-5H3,(H,19,23)/t17-/m0/s1
InChIKeyDGCRHJIHIDOFSE-KRWDZBQOSA-N
XLogP2.94
TPSA61.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea with MolForge

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Related Compounds

N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 97314529
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3R)-1-methylpiperidin-3-yl]urea
CID 94442857
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-3-oxopropanoic acid
CID 62231610
2-cyclopentyloxy-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 75461539
3-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053931
3-[2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 94053929
3-[(2-cyclopentyloxy-3-pyridinyl)methyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea
CID 55794546
1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methyl-3-[(3S)-1-methylsulfonylpiperidin-3-yl]urea
CID 97314235
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methyl-2-(propan-2-ylamino)acetamide
CID 60963501
N-[cyclopentyl-(4-fluorophenyl)methyl]-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]acetamide
CID 60509408
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl-methylamino]-N-(oxolan-2-ylmethyl)propanamide
CID 71867396

Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The IUPAC name of 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea (CID 94097246) is 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea.
What is the SMILES notation for 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The canonical SMILES for 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C1CCCCC1)N(C)C.
What is the InChIKey of 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
The InChIKey is DGCRHJIHIDOFSE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H32N4O2/c1-13-16(14(2)24-20-13)12-22(5)18(23)19-11-17(21(3)4)15-9-7-6-8-10-15/h15,17H,6-12H2,1-5H3,(H,19,23)/t17-/m0/s1.
What are the key properties of 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea?
3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea has a molecular weight of 336.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-cyclohexyl-2-(dimethylamino)ethyl]-1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-methylurea is sourced from PubChem (CID 94097246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).