1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea

C15H27N5O2 — CID 95290615

IUPAC1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc([C@H](C)NC(=O)NCC2(N(C)C)CCCCC2)n1
InChIInChI=1S/C15H27N5O2/c1-11(13-18-12(2)19-22-13)17-14(21)16-10-15(20(3)4)8-6-5-7-9-15/h11H,5-10H2,1-4H3,(H2,16,17,21)/t11-/m0/s1
InChIKeyTUAXHEFIZFWXEL-NSHDSACASA-N
MW309.41 g/mol
LogP2.00
Rot. Bonds5

About 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 95290615) has the molecular formula C15H27N5O2 and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID95290615
Molecular FormulaC15H27N5O2
Molecular Weight309.41 g/mol
Exact Mass309.22
IUPAC Name1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCc1noc([C@H](C)NC(=O)NCC2(N(C)C)CCCCC2)n1
InChIInChI=1S/C15H27N5O2/c1-11(13-18-12(2)19-22-13)17-14(21)16-10-15(20(3)4)8-6-5-7-9-15/h11H,5-10H2,1-4H3,(H2,16,17,21)/t11-/m0/s1
InChIKeyTUAXHEFIZFWXEL-NSHDSACASA-N
XLogP2.00
TPSA83.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea with MolForge

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Related Compounds

1-[[1-(dimethylamino)cyclobutyl]methyl]-3-propan-2-ylurea
CID 105408997
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 129399310
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(1,3-thiazol-2-yl)ethyl]urea
CID 95758195
1-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(quinolin-8-ylmethyl)urea
CID 95619095
1-[2-[(1S,2R)-2-methylcyclohexyl]oxyethyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 124850689
1-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-[[(2S)-2-methyloxolan-2-yl]methyl]urea
CID 129333525
N,N'-bis[[1-(dimethylamino)cyclohexyl]methyl]-3-methylpentanediamide
CID 167805292
1-[1-(3-benzyl-1,2,4-oxadiazol-5-yl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111841207
N-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1-phenylsulfanylcyclopentane-1-carboxamide
CID 95317299
1-[(2-methoxynaphthalen-1-yl)methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95351009
1-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-3-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 167881325
N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pentanamide
CID 60606531

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 95290615) is 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is Cc1noc([C@H](C)NC(=O)NCC2(N(C)C)CCCCC2)n1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is TUAXHEFIZFWXEL-NSHDSACASA-N. The full InChI is InChI=1S/C15H27N5O2/c1-11(13-18-12(2)19-22-13)17-14(21)16-10-15(20(3)4)8-6-5-7-9-15/h11H,5-10H2,1-4H3,(H2,16,17,21)/t11-/m0/s1.
What are the key properties of 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 309.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 95290615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).