1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea

C12H20N4O3 — CID 111566577

IUPAC1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(CC)c1noc(C)n1
InChIInChI=1S/C12H20N4O3/c1-4-6-16(7-8-17)12(18)14-10(5-2)11-13-9(3)19-15-11/h4,10,17H,1,5-8H2,2-3H3,(H,14,18)
InChIKeyBKXMSDRSEGXNKD-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.02
Rot. Bonds7

About 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea

1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea (PubChem CID 111566577) has the molecular formula C12H20N4O3 and a molecular weight of 268.32 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea
PubChem CID111566577
Molecular FormulaC12H20N4O3
Molecular Weight268.32 g/mol
Exact Mass268.15
IUPAC Name1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea
SMILESC=CCN(CCO)C(=O)NC(CC)c1noc(C)n1
InChIInChI=1S/C12H20N4O3/c1-4-6-16(7-8-17)12(18)14-10(5-2)11-13-9(3)19-15-11/h4,10,17H,1,5-8H2,2-3H3,(H,14,18)
InChIKeyBKXMSDRSEGXNKD-UHFFFAOYSA-N
XLogP1.02
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[3-[(1S)-1-ethoxyethyl]-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine
CID 95902343
Acetamide;2-[5-(aminomethyl)-1,2,4-oxadiazol-3-yl]-2-(methylamino)ethanol
CID 142578354
acetamide;3-[[3-(1-amino-2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(2E)-2-ethenylpenta-2,4-dienyl]-1-ethylurea
CID 145150661
1-[[3-(1-Aminoethyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(3-hydroxybutan-2-yl)urea
CID 167150206
1-[(3-Methyl-1,2,4-oxadiazol-5-yl)methyl]-3-prop-2-enylurea
CID 49723431
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]-N-prop-2-enylacetamide
CID 60235465
2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]-N-prop-2-enylpropanamide
CID 61014730
2-[[3-(1-Ethoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-bis(prop-2-enyl)guanidine
CID 75375125
N-[[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79262881
N-[[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79276258
2-[5-[(Prop-2-enylamino)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104826971
2-[(5-methyl-1,2,4-oxadiazol-3-yl)methylamino]-N-prop-2-enylpropanamide
CID 106398114

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea?
The IUPAC name of 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea (CID 111566577) is 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea.
What is the SMILES notation for 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea?
The canonical SMILES for 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea is C=CCN(CCO)C(=O)NC(CC)c1noc(C)n1.
What is the InChIKey of 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea?
The InChIKey is BKXMSDRSEGXNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O3/c1-4-6-16(7-8-17)12(18)14-10(5-2)11-13-9(3)19-15-11/h4,10,17H,1,5-8H2,2-3H3,(H,14,18).
What are the key properties of 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea?
1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea has a molecular weight of 268.32 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-3-[1-(5-methyl-1,2,4-oxadiazol-3-yl)propyl]-1-prop-2-enylurea is sourced from PubChem (CID 111566577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).