1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate

C14H17N3O4S — CID 86921526

IUPAC1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate
SMILESCc1noc(C(C)OC(=O)CCCNC(=O)c2cccs2)n1
InChIInChI=1S/C14H17N3O4S/c1-9(14-16-10(2)17-21-14)20-12(18)6-3-7-15-13(19)11-5-4-8-22-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,19)
InChIKeyZTDPZZZWNYVIGY-UHFFFAOYSA-N
MW323.37 g/mol
LogP2.25
Rot. Bonds7

About 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate

1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate (PubChem CID 86921526) has the molecular formula C14H17N3O4S and a molecular weight of 323.37 g/mol. Its IUPAC name is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate.

Molecular Properties

Compound Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate
PubChem CID86921526
Molecular FormulaC14H17N3O4S
Molecular Weight323.37 g/mol
Exact Mass323.09
IUPAC Name1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate
SMILESCc1noc(C(C)OC(=O)CCCNC(=O)c2cccs2)n1
InChIInChI=1S/C14H17N3O4S/c1-9(14-16-10(2)17-21-14)20-12(18)6-3-7-15-13(19)11-5-4-8-22-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,19)
InChIKeyZTDPZZZWNYVIGY-UHFFFAOYSA-N
XLogP2.25
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[methyl-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]amino]-3-oxopropyl]thiophene-2-carboxamide
CID 138004639
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 2-(thiophene-2-carbonylamino)benzoate
CID 55547339
N-[4-(5-methylhexan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 78794704
4-(thiophene-2-carbonylamino)butanoic acid
CID 3149370
N-(3-pyridin-4-yloxypropyl)thiophene-2-carboxamide
CID 15231495
N-[4-(1-methoxypropan-2-ylamino)-4-oxobutyl]thiophene-2-carboxamide
CID 51180809
N-[3-(2-methylpropoxy)propyl]thiophene-2-carboxamide
CID 60715014
N-[4-[(1-hydroxy-4-methylpentan-3-yl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 103782548
N-[4-[(4-methyl-2-pyridinyl)amino]-4-oxobutyl]thiophene-2-carboxamide
CID 51274545
N-[3-(3-methylbutan-2-ylamino)-3-oxopropyl]thiophene-2-carboxamide
CID 43043080
N-[3-(4-aminopentanoylamino)propyl]thiophene-2-carboxamide;hydrochloride
CID 120561874

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate?
The IUPAC name of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate (CID 86921526) is 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate.
What is the SMILES notation for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate?
The canonical SMILES for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate is Cc1noc(C(C)OC(=O)CCCNC(=O)c2cccs2)n1.
What is the InChIKey of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate?
The InChIKey is ZTDPZZZWNYVIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S/c1-9(14-16-10(2)17-21-14)20-12(18)6-3-7-15-13(19)11-5-4-8-22-11/h4-5,8-9H,3,6-7H2,1-2H3,(H,15,19).
What are the key properties of 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate?
1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate has a molecular weight of 323.37 g/mol, XLogP of 2.25, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl 4-(thiophene-2-carbonylamino)butanoate is sourced from PubChem (CID 86921526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).