3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one

C6H11N3O2 — CID 137043198

IUPAC3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCCNCCc1noc(=O)[nH]1
InChIInChI=1S/C6H11N3O2/c1-2-7-4-3-5-8-6(10)11-9-5/h7H,2-4H2,1H3,(H,8,9,10)
InChIKeyXAWBWEFCNNPKLS-UHFFFAOYSA-N
MW157.17 g/mol
LogP-0.49
Rot. Bonds4

About 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one

3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137043198) has the molecular formula C6H11N3O2 and a molecular weight of 157.17 g/mol. Its IUPAC name is 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
PubChem CID137043198
Molecular FormulaC6H11N3O2
Molecular Weight157.17 g/mol
Exact Mass157.09
IUPAC Name3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one
SMILESCCNCCc1noc(=O)[nH]1
InChIInChI=1S/C6H11N3O2/c1-2-7-4-3-5-8-6(10)11-9-5/h7H,2-4H2,1H3,(H,8,9,10)
InChIKeyXAWBWEFCNNPKLS-UHFFFAOYSA-N
XLogP-0.49
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.17
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-Aminoethyl)-2,5-dihydro-1,2,4-oxadiazol-5-one hydrochloride
CID 136380783
3-(2-Aminoethyl)-1,2,4-oxadiazol-5-ol
CID 136197513
3-(2-aminopropyl)-4H-1,2,4-oxadiazol-5-one
CID 136197521
methyl N-[(3Z)-3-amino-3-hydroxyiminopropyl]carbamate
CID 62667505
[(3E)-3-amino-3-hydroxyiminopropyl]carbamic acid
CID 87443073
[(3Z)-3-amino-3-hydroxyiminopropyl]carbamic acid
CID 89601855
3-(ethylaminomethyl)-4H-1,2,4-oxadiazol-5-one
CID 136197516
3-[(propan-2-ylamino)methyl]-4H-1,2,4-oxadiazol-5-one
CID 136197517
3-(3-aminopropyl)-4H-1,2,4-oxadiazol-5-one
CID 136197519
3-(1-aminopropan-2-yl)-4H-1,2,4-oxadiazol-5-one
CID 136197520
3-(1-amino-3-methylbutan-2-yl)-4H-1,2,4-oxadiazol-5-one
CID 136338723
3-(1-amino-2-methylpropan-2-yl)-4H-1,2,4-oxadiazol-5-one
CID 136338773

Frequently Asked Questions

What is the IUPAC name of 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one (CID 137043198) is 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one is CCNCCc1noc(=O)[nH]1.
What is the InChIKey of 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is XAWBWEFCNNPKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O2/c1-2-7-4-3-5-8-6(10)11-9-5/h7H,2-4H2,1H3,(H,8,9,10).
What are the key properties of 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one?
3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 157.17 g/mol, XLogP of -0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(ethylamino)ethyl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137043198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).