N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

C17H26N4O2S — CID 29000773

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCC(C)(C)CN(C)C)o2)s1
InChIInChI=1S/C17H26N4O2S/c1-12-6-7-13(24-12)16-20-19-15(23-16)9-8-14(22)18-10-17(2,3)11-21(4)5/h6-7H,8-11H2,1-5H3,(H,18,22)
InChIKeyGUDWYZHKPHJVHR-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.74
Rot. Bonds8

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (PubChem CID 29000773) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
PubChem CID29000773
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide
SMILESCc1ccc(-c2nnc(CCC(=O)NCC(C)(C)CN(C)C)o2)s1
InChIInChI=1S/C17H26N4O2S/c1-12-6-7-13(24-12)16-20-19-15(23-16)9-8-14(22)18-10-17(2,3)11-21(4)5/h6-7H,8-11H2,1-5H3,(H,18,22)
InChIKeyGUDWYZHKPHJVHR-UHFFFAOYSA-N
XLogP2.74
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide (CID 29000773) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is Cc1ccc(-c2nnc(CCC(=O)NCC(C)(C)CN(C)C)o2)s1.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
The InChIKey is GUDWYZHKPHJVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-12-6-7-13(24-12)16-20-19-15(23-16)9-8-14(22)18-10-17(2,3)11-21(4)5/h6-7H,8-11H2,1-5H3,(H,18,22).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide has a molecular weight of 350.49 g/mol, XLogP of 2.74, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-[5-(5-methylthiophen-2-yl)-1,3,4-oxadiazol-2-yl]propanamide is sourced from PubChem (CID 29000773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).