5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

C12H14ClN3O3S — CID 46997067

IUPAC5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCCN(Cc1nc(COC)no1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3O3S/c1-3-16(12(17)8-4-5-9(13)20-8)6-11-14-10(7-18-2)15-19-11/h4-5H,3,6-7H2,1-2H3
InChIKeyBXIOYCQCNXMJBL-UHFFFAOYSA-N
MW315.78 g/mol
LogP2.59
Rot. Bonds6

About 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide

5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (PubChem CID 46997067) has the molecular formula C12H14ClN3O3S and a molecular weight of 315.78 g/mol. Its IUPAC name is 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
PubChem CID46997067
Molecular FormulaC12H14ClN3O3S
Molecular Weight315.78 g/mol
Exact Mass315.04
IUPAC Name5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide
SMILESCCN(Cc1nc(COC)no1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H14ClN3O3S/c1-3-16(12(17)8-4-5-9(13)20-8)6-11-14-10(7-18-2)15-19-11/h4-5H,3,6-7H2,1-2H3
InChIKeyBXIOYCQCNXMJBL-UHFFFAOYSA-N
XLogP2.59
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide (CID 46997067) is 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is CCN(Cc1nc(COC)no1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
The InChIKey is BXIOYCQCNXMJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3O3S/c1-3-16(12(17)8-4-5-9(13)20-8)6-11-14-10(7-18-2)15-19-11/h4-5H,3,6-7H2,1-2H3.
What are the key properties of 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide?
5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide has a molecular weight of 315.78 g/mol, XLogP of 2.59, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-ethyl-N-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46997067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).