1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea

C11H22N6O2 — CID 106964050

IUPAC1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea
SMILESCC(C)NCc1nnc(NCCNC(=O)N(C)C)o1
InChIInChI=1S/C11H22N6O2/c1-8(2)14-7-9-15-16-10(19-9)12-5-6-13-11(18)17(3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,18)
InChIKeyQIIYEKHGLURPFD-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.25
Rot. Bonds7

About 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea

1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea (PubChem CID 106964050) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea.

Molecular Properties

Compound Name1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea
PubChem CID106964050
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea
SMILESCC(C)NCc1nnc(NCCNC(=O)N(C)C)o1
InChIInChI=1S/C11H22N6O2/c1-8(2)14-7-9-15-16-10(19-9)12-5-6-13-11(18)17(3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,18)
InChIKeyQIIYEKHGLURPFD-UHFFFAOYSA-N
XLogP0.25
TPSA95.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea with MolForge

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Related Compounds

3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea
CID 106964060
N-ethyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969289
5-[(propan-2-ylamino)methyl]-N-(2-pyridin-4-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106969559
N-tert-butyl-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964227
N-(2-methylpropyl)-2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]propanamide
CID 106964132
5-[(propan-2-ylamino)methyl]-N-(3-propoxypropyl)-1,3,4-oxadiazol-2-amine
CID 106963665
N-(2-methylsulfanylpropyl)-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106964866
5-[(propan-2-ylamino)methyl]-N-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106959334
N-[(2-bromophenyl)methyl]-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971211
2-[[5-[(tert-butylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]-N,N-dimethylacetamide
CID 106968829
N-[2-(dimethylcarbamoylamino)ethyl]-2-methylpropanamide
CID 108575110
N-[2-[[5-[(dimethylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-4-fluorobenzamide
CID 137334187

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea?
The IUPAC name of 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea (CID 106964050) is 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea.
What is the SMILES notation for 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea?
The canonical SMILES for 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea is CC(C)NCc1nnc(NCCNC(=O)N(C)C)o1.
What is the InChIKey of 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea?
The InChIKey is QIIYEKHGLURPFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-8(2)14-7-9-15-16-10(19-9)12-5-6-13-11(18)17(3)4/h8,14H,5-7H2,1-4H3,(H,12,16)(H,13,18).
What are the key properties of 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea?
1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea has a molecular weight of 270.34 g/mol, XLogP of 0.25, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea is sourced from PubChem (CID 106964050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).