N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

C16H23N3O2S — CID 46097006

IUPACN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C16H23N3O2S/c1-11-13(14(21-18-11)12-7-6-8-22-12)15(20)17-9-16(2,3)10-19(4)5/h6-8H,9-10H2,1-5H3,(H,17,20)
InChIKeyQSGFMKOZVDKHKY-UHFFFAOYSA-N
MW321.45 g/mol
LogP3.03
Rot. Bonds6

About N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide

N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (PubChem CID 46097006) has the molecular formula C16H23N3O2S and a molecular weight of 321.45 g/mol. Its IUPAC name is N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
PubChem CID46097006
Molecular FormulaC16H23N3O2S
Molecular Weight321.45 g/mol
Exact Mass321.15
IUPAC NameN-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide
SMILESCc1noc(-c2cccs2)c1C(=O)NCC(C)(C)CN(C)C
InChIInChI=1S/C16H23N3O2S/c1-11-13(14(21-18-11)12-7-6-8-22-12)15(20)17-9-16(2,3)10-19(4)5/h6-8H,9-10H2,1-5H3,(H,17,20)
InChIKeyQSGFMKOZVDKHKY-UHFFFAOYSA-N
XLogP3.03
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.45
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide (CID 46097006) is N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is Cc1noc(-c2cccs2)c1C(=O)NCC(C)(C)CN(C)C.
What is the InChIKey of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
The InChIKey is QSGFMKOZVDKHKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O2S/c1-11-13(14(21-18-11)12-7-6-8-22-12)15(20)17-9-16(2,3)10-19(4)5/h6-8H,9-10H2,1-5H3,(H,17,20).
What are the key properties of N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide?
N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide has a molecular weight of 321.45 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)-2,2-dimethylpropyl]-3-methyl-5-thiophen-2-yl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46097006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).