2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide

C10H17ClN4O3 — CID 106958390

IUPAC2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1nnc(C(C)Cl)o1
InChIInChI=1S/C10H17ClN4O3/c1-6(11)9-14-15-10(18-9)13-7(2)8(16)12-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyKNFPGHYMWRCZCJ-UHFFFAOYSA-N
MW276.72 g/mol
LogP0.93
Rot. Bonds7

About 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide

2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide (PubChem CID 106958390) has the molecular formula C10H17ClN4O3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
PubChem CID106958390
Molecular FormulaC10H17ClN4O3
Molecular Weight276.72 g/mol
Exact Mass276.10
IUPAC Name2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide
SMILESCOCCNC(=O)C(C)Nc1nnc(C(C)Cl)o1
InChIInChI=1S/C10H17ClN4O3/c1-6(11)9-14-15-10(18-9)13-7(2)8(16)12-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,12,16)(H,13,15)
InChIKeyKNFPGHYMWRCZCJ-UHFFFAOYSA-N
XLogP0.93
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(1-chloroethyl)-N-(4-methoxybutan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106957996
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-propylpropanamide
CID 106959992
2-[(6-amino-5-chloropyrimidin-4-yl)amino]-N-(2-methoxyethyl)propanamide
CID 114049887
2-[[5-[1-(ethylamino)ethyl]-1,3,4-oxadiazol-2-yl]amino]-N-methylpropanamide
CID 106959375
2-(2,6-dibromo-4-methylanilino)-N-(2-methoxyethyl)propanamide
CID 43126255
N-(2-methoxyethyl)-2-(propan-2-ylamino)propanamide
CID 43086718
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
N-(2-methoxyethyl)-2-[(4-propan-2-yl-4,5-dihydro-1,3-thiazol-2-yl)amino]propanamide
CID 107858115
N-[1-(2-methoxyethylamino)-1-oxopropan-2-yl]-2-methyl-3-(methylamino)propanamide
CID 113407197
5-(1-chloroethyl)-N-hexan-2-yl-1,3,4-oxadiazol-2-amine
CID 106957513
N-(2-methoxyethyl)-2-[(3-oxocyclopenten-1-yl)amino]propanamide
CID 104788694

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The IUPAC name of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide (CID 106958390) is 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide is COCCNC(=O)C(C)Nc1nnc(C(C)Cl)o1.
What is the InChIKey of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide?
The InChIKey is KNFPGHYMWRCZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4O3/c1-6(11)9-14-15-10(18-9)13-7(2)8(16)12-4-5-17-3/h6-7H,4-5H2,1-3H3,(H,12,16)(H,13,15).
What are the key properties of 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide?
2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide has a molecular weight of 276.72 g/mol, XLogP of 0.93, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(1-chloroethyl)-1,3,4-oxadiazol-2-yl]amino]-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 106958390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).