1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

C17H30N4O3 — CID 71868282

IUPAC1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCOC1(C)CC(N(C)C(=O)NCCc2nc(C(C)C)no2)C1(C)C
InChIInChI=1S/C17H30N4O3/c1-11(2)14-19-13(24-20-14)8-9-18-15(22)21(6)12-10-17(5,23-7)16(12,3)4/h11-12H,8-10H2,1-7H3,(H,18,22)
InChIKeyXTTKTCYMZMXOJQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP2.58
Rot. Bonds6

About 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea

1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (PubChem CID 71868282) has the molecular formula C17H30N4O3 and a molecular weight of 338.45 g/mol. Its IUPAC name is 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.

Molecular Properties

Compound Name1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
PubChem CID71868282
Molecular FormulaC17H30N4O3
Molecular Weight338.45 g/mol
Exact Mass338.23
IUPAC Name1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
SMILESCOC1(C)CC(N(C)C(=O)NCCc2nc(C(C)C)no2)C1(C)C
InChIInChI=1S/C17H30N4O3/c1-11(2)14-19-13(24-20-14)8-9-18-15(22)21(6)12-10-17(5,23-7)16(12,3)4/h11-12H,8-10H2,1-7H3,(H,18,22)
InChIKeyXTTKTCYMZMXOJQ-UHFFFAOYSA-N
XLogP2.58
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95934487
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-2-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine
CID 111981659
1-ethyl-1-(2-hydroxyethyl)-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111111799
1-[(2-hydroxy-1-methylcyclohexyl)methyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 111722412
N-(3-methoxy-2,2,3-trimethylcyclobutyl)-N,2-dimethyl-3-(methylamino)propanamide;hydrochloride
CID 119817564
N-(1-adamantyl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 39877535
1-[(4-chloro-1-methylpyrrol-2-yl)methyl]-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 71920782
N,N-dimethyl-1-[[[N'-methyl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 111981865
2-propan-2-yl-N-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]thiomorpholine-4-carboxamide
CID 71990183
1-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 95260702
1-[1-(oxolan-2-yl)ethyl]-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea
CID 56785680
1-(2-methoxyethyl)-2-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]guanidine;hydroiodide
CID 111554184

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The IUPAC name of 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea (CID 71868282) is 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea.
What is the SMILES notation for 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The canonical SMILES for 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is COC1(C)CC(N(C)C(=O)NCCc2nc(C(C)C)no2)C1(C)C.
What is the InChIKey of 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
The InChIKey is XTTKTCYMZMXOJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4O3/c1-11(2)14-19-13(24-20-14)8-9-18-15(22)21(6)12-10-17(5,23-7)16(12,3)4/h11-12H,8-10H2,1-7H3,(H,18,22).
What are the key properties of 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea?
1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea has a molecular weight of 338.45 g/mol, XLogP of 2.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2,2,3-trimethylcyclobutyl)-1-methyl-3-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]urea is sourced from PubChem (CID 71868282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).