lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate

C14H14LiN3O4 — CID 58862676

IUPAClithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate
SMILESCCc1nnc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)o1.[Li+]
InChIInChI=1S/C14H15N3O4.Li/c1-2-12-16-17-14(21-12)9-3-5-10(6-4-9)15-11(18)7-8-13(19)20;/h3-6H,2,7-8H2,1H3,(H,15,18)(H,19,20);/q;+1/p-1
InChIKeyDMVUATSXGOYBRX-UHFFFAOYSA-M
MW295.22 g/mol
LogP-2.23
Rot. Bonds6

About lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate

lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate (PubChem CID 58862676) has the molecular formula C14H14LiN3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate.

Molecular Properties

Compound Namelithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate
PubChem CID58862676
Molecular FormulaC14H14LiN3O4
Molecular Weight295.22 g/mol
Exact Mass295.11
IUPAC Namelithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate
SMILESCCc1nnc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)o1.[Li+]
InChIInChI=1S/C14H15N3O4.Li/c1-2-12-16-17-14(21-12)9-3-5-10(6-4-9)15-11(18)7-8-13(19)20;/h3-6H,2,7-8H2,1H3,(H,15,18)(H,19,20);/q;+1/p-1
InChIKeyDMVUATSXGOYBRX-UHFFFAOYSA-M
XLogP-2.23
TPSA108.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 5-2.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethylphenyl)-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334045
ethyl 2-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-2-oxoacetate
CID 25284248
N-(4-chlorophenyl)-3-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334653
N-[4-(diethylamino)phenyl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 55412214
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)phenyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111618143
2-[5-(5-ethyl-1,3,4-oxadiazol-2-yl)-2-oxo-1-pyridinyl]-N-(4-ethylphenyl)acetamide
CID 53173951
N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 661234
4-(3-carboxylatopropanoylamino)benzoate
CID 4170871
N-[4-(dimethylamino)phenyl]-3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 110334085
3-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]-N-(4-methoxyphenyl)propanamide
CID 110334066
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 18089569
3-(4-methylphenyl)sulfonyl-N-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methoxy]phenyl]propanamide
CID 50844096

Frequently Asked Questions

What is the IUPAC name of lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate?
The IUPAC name of lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate (CID 58862676) is lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate.
What is the SMILES notation for lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate?
The canonical SMILES for lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate is CCc1nnc(-c2ccc(NC(=O)CCC(=O)[O-])cc2)o1.[Li+].
What is the InChIKey of lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate?
The InChIKey is DMVUATSXGOYBRX-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H15N3O4.Li/c1-2-12-16-17-14(21-12)9-3-5-10(6-4-9)15-11(18)7-8-13(19)20;/h3-6H,2,7-8H2,1H3,(H,15,18)(H,19,20);/q;+1/p-1.
What are the key properties of lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate?
lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate has a molecular weight of 295.22 g/mol, XLogP of -2.23, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)anilino]-4-oxobutanoate is sourced from PubChem (CID 58862676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).