3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea

C11H22N6O2 — CID 106964060

IUPAC3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea
SMILESCCNC(C)c1nnc(NCCNC(=O)N(C)C)o1
InChIInChI=1S/C11H22N6O2/c1-5-12-8(2)9-15-16-10(19-9)13-6-7-14-11(18)17(3)4/h8,12H,5-7H2,1-4H3,(H,13,16)(H,14,18)
InChIKeyKTBVRDMTDLHOIW-UHFFFAOYSA-N
MW270.34 g/mol
LogP0.42
Rot. Bonds7

About 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea

3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea (PubChem CID 106964060) has the molecular formula C11H22N6O2 and a molecular weight of 270.34 g/mol. Its IUPAC name is 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea.

Molecular Properties

Compound Name3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea
PubChem CID106964060
Molecular FormulaC11H22N6O2
Molecular Weight270.34 g/mol
Exact Mass270.18
IUPAC Name3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea
SMILESCCNC(C)c1nnc(NCCNC(=O)N(C)C)o1
InChIInChI=1S/C11H22N6O2/c1-5-12-8(2)9-15-16-10(19-9)13-6-7-14-11(18)17(3)4/h8,12H,5-7H2,1-4H3,(H,13,16)(H,14,18)
InChIKeyKTBVRDMTDLHOIW-UHFFFAOYSA-N
XLogP0.42
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 ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl carbamate
CID 106964003
1,1-dimethyl-3-[2-[[5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]urea
CID 106964050
N,N-diethyl-2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106964475
3-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-2,2-dimethylpropanamide
CID 114167811
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959992
5-[1-(ethylamino)ethyl]-N-(3-methylsulfonylpropyl)-1,3,4-oxadiazol-2-amine
CID 106970385
5-[1-(ethylamino)ethyl]-N-(7-methyloctyl)-1,3,4-oxadiazol-2-amine
CID 107819579
N-propyl-2-[[5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]acetamide
CID 106969227
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106959375
5-[1-(ethylamino)ethyl]-N-[2-(4-fluorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966363
5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969532
5-[1-(ethylamino)ethyl]-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106961976

Frequently Asked Questions

What is the IUPAC name of 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea?
The IUPAC name of 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea (CID 106964060) is 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea.
What is the SMILES notation for 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea?
The canonical SMILES for 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea is CCNC(C)c1nnc(NCCNC(=O)N(C)C)o1.
What is the InChIKey of 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea?
The InChIKey is KTBVRDMTDLHOIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O2/c1-5-12-8(2)9-15-16-10(19-9)13-6-7-14-11(18)17(3)4/h8,12H,5-7H2,1-4H3,(H,13,16)(H,14,18).
What are the key properties of 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea?
3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea has a molecular weight of 270.34 g/mol, XLogP of 0.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]ethyl]-1,1-dimethylurea is sourced from PubChem (CID 106964060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).