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

C16H29N5O2 — CID 129399310

IUPAC1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCc1noc([C@@H](NC(=O)N(C)CC2(N(C)C)CCC2)C(C)C)n1
InChIInChI=1S/C16H29N5O2/c1-11(2)13(14-17-12(3)19-23-14)18-15(22)21(6)10-16(20(4)5)8-7-9-16/h11,13H,7-10H2,1-6H3,(H,18,22)/t13-/m0/s1
InChIKeyYEYIYMJLWISHTD-ZDUSSCGKSA-N
MW323.44 g/mol
LogP2.20
Rot. Bonds6

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

1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea (PubChem CID 129399310) has the molecular formula C16H29N5O2 and a molecular weight of 323.44 g/mol. Its IUPAC name is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea.

Molecular Properties

Compound Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
PubChem CID129399310
Molecular FormulaC16H29N5O2
Molecular Weight323.44 g/mol
Exact Mass323.23
IUPAC Name1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
SMILESCc1noc([C@@H](NC(=O)N(C)CC2(N(C)C)CCC2)C(C)C)n1
InChIInChI=1S/C16H29N5O2/c1-11(2)13(14-17-12(3)19-23-14)18-15(22)21(6)10-16(20(4)5)8-7-9-16/h11,13H,7-10H2,1-6H3,(H,18,22)/t13-/m0/s1
InChIKeyYEYIYMJLWISHTD-ZDUSSCGKSA-N
XLogP2.20
TPSA74.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[1-(dimethylamino)cyclohexyl]methyl]-3-[(1S)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95290615
1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-1-[(2R)-2-(1,3-thiazol-2-yl)propyl]urea
CID 97351606
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 97242762
(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)-N-propan-2-ylpropan-1-amine
CID 146534926
(2R)-2-amino-N-[[1-(dimethylamino)cyclobutyl]methyl]-N,3-dimethylbutanamide
CID 105417719
(6S)-2,2,6-trimethyl-N-[(1R)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]morpholine-4-carboxamide
CID 99122278
1-(2-hydroxy-2,5-dimethylhexyl)-3-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea
CID 111455473
4-methyl-N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2-propyl-1,3-thiazole-5-carboxamide
CID 86938357
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]cyclopentanamine
CID 115720116
N-[2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]-2,3-dihydro-1-benzothiophene-2-carboxamide
CID 86938358
1-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-3-methylbutan-2-ol
CID 105416413
N-[1-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-2-methylpropyl]-2-phenylacetamide
CID 120860986

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The IUPAC name of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea (CID 129399310) is 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea.
What is the SMILES notation for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The canonical SMILES for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea is Cc1noc([C@@H](NC(=O)N(C)CC2(N(C)C)CCC2)C(C)C)n1.
What is the InChIKey of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
The InChIKey is YEYIYMJLWISHTD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H29N5O2/c1-11(2)13(14-17-12(3)19-23-14)18-15(22)21(6)10-16(20(4)5)8-7-9-16/h11,13H,7-10H2,1-6H3,(H,18,22)/t13-/m0/s1.
What are the key properties of 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea?
1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea has a molecular weight of 323.44 g/mol, XLogP of 2.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-3-[(1S)-2-methyl-1-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]urea is sourced from PubChem (CID 129399310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).