N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide

C14H18BrN3O2S — CID 31951591

IUPACN-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(C)c1noc(CCC(=O)NCc2ccc(Br)s2)n1
InChIInChI=1S/C14H18BrN3O2S/c1-14(2,3)13-17-12(20-18-13)7-6-11(19)16-8-9-4-5-10(15)21-9/h4-5H,6-8H2,1-3H3,(H,16,19)
InChIKeyQYCNYTWPYFJJFN-UHFFFAOYSA-N
MW372.29 g/mol
LogP3.44
Rot. Bonds5

About N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide

N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide (PubChem CID 31951591) has the molecular formula C14H18BrN3O2S and a molecular weight of 372.29 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
PubChem CID31951591
Molecular FormulaC14H18BrN3O2S
Molecular Weight372.29 g/mol
Exact Mass371.03
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide
SMILESCC(C)(C)c1noc(CCC(=O)NCc2ccc(Br)s2)n1
InChIInChI=1S/C14H18BrN3O2S/c1-14(2,3)13-17-12(20-18-13)7-6-11(19)16-8-9-4-5-10(15)21-9/h4-5H,6-8H2,1-3H3,(H,16,19)
InChIKeyQYCNYTWPYFJJFN-UHFFFAOYSA-N
XLogP3.44
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.29
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide (CID 31951591) is N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide is CC(C)(C)c1noc(CCC(=O)NCc2ccc(Br)s2)n1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?
The InChIKey is QYCNYTWPYFJJFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2S/c1-14(2,3)13-17-12(20-18-13)7-6-11(19)16-8-9-4-5-10(15)21-9/h4-5H,6-8H2,1-3H3,(H,16,19).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide?
N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide has a molecular weight of 372.29 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)propanamide is sourced from PubChem (CID 31951591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).