(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate

C16H13N3O4S — CID 7807928

IUPAC(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O4S/c20-14(9-17-15(21)12-7-4-8-24-12)22-10-13-18-19-16(23-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,21)
InChIKeyMPTQWURTIQQVSB-UHFFFAOYSA-N
MW343.36 g/mol
LogP2.27
Rot. Bonds6

About (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate (PubChem CID 7807928) has the molecular formula C16H13N3O4S and a molecular weight of 343.36 g/mol. Its IUPAC name is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate.

Molecular Properties

Compound Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate
PubChem CID7807928
Molecular FormulaC16H13N3O4S
Molecular Weight343.36 g/mol
Exact Mass343.06
IUPAC Name(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate
SMILESO=C(CNC(=O)c1cccs1)OCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C16H13N3O4S/c20-14(9-17-15(21)12-7-4-8-24-12)22-10-13-18-19-16(23-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,21)
InChIKeyMPTQWURTIQQVSB-UHFFFAOYSA-N
XLogP2.27
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 9364281
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[(3,4-dimethylbenzoyl)amino]acetate
CID 7885049
N-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]thiophene-2-carboxamide
CID 110320093
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-[[4-(diethylsulfamoyl)benzoyl]amino]acetate
CID 55304005
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]thiophene-2-carboxamide
CID 110321054
N-[2-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110320653
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl (3S)-3-benzamidobutanoate
CID 27707248
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-[methyl(thiophene-2-carbonyl)amino]benzoate
CID 55496878
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(2-phenylethenylsulfonylamino)acetate
CID 3318697
naphthalen-1-ylmethyl 2-(thiophene-2-carbonylamino)acetate
CID 926068
N-[2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]thiophene-2-carboxamide
CID 110322424
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 4-(5-methylthiophen-2-yl)-4-oxobutanoate
CID 7524315

Frequently Asked Questions

What is the IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate?
The IUPAC name of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate (CID 7807928) is (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate.
What is the SMILES notation for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate?
The canonical SMILES for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate is O=C(CNC(=O)c1cccs1)OCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate?
The InChIKey is MPTQWURTIQQVSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O4S/c20-14(9-17-15(21)12-7-4-8-24-12)22-10-13-18-19-16(23-13)11-5-2-1-3-6-11/h1-8H,9-10H2,(H,17,21).
What are the key properties of (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate?
(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate has a molecular weight of 343.36 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-(thiophene-2-carbonylamino)acetate is sourced from PubChem (CID 7807928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).