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

C13H17N3O3S — CID 100815760

IUPAC(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)[C@]1(C)CC(c2cccs2)=NO1
InChIInChI=1S/C13H17N3O3S/c1-13(12(18)14-8-11(17)16(2)3)7-9(15-19-13)10-5-4-6-20-10/h4-6H,7-8H2,1-3H3,(H,14,18)/t13-/m0/s1
InChIKeyTVPOLJVNRAIECS-ZDUSSCGKSA-N
MW295.36 g/mol
LogP0.84
Rot. Bonds4

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

(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (PubChem CID 100815760) has the molecular formula C13H17N3O3S and a molecular weight of 295.36 g/mol. Its IUPAC name is (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
PubChem CID100815760
Molecular FormulaC13H17N3O3S
Molecular Weight295.36 g/mol
Exact Mass295.10
IUPAC Name(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
SMILESCN(C)C(=O)CNC(=O)[C@]1(C)CC(c2cccs2)=NO1
InChIInChI=1S/C13H17N3O3S/c1-13(12(18)14-8-11(17)16(2)3)7-9(15-19-13)10-5-4-6-20-10/h4-6H,7-8H2,1-3H3,(H,14,18)/t13-/m0/s1
InChIKeyTVPOLJVNRAIECS-ZDUSSCGKSA-N
XLogP0.84
TPSA71.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.36
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551812
(5S)-5-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815768
N-[2-(dimethylamino)-2-oxoethyl]-3-(2-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 91946284
5-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551808
N-[3-(2-methoxyethylamino)-3-oxopropyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 102551896
(5R)-5-methyl-N-(3-pyrazol-1-ylpropyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815742
(5R)-5-methyl-N-(1-methylpyrazol-3-yl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815757
(5S)-5-methyl-N-(4-methyl-2-pyridinyl)-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide
CID 100815777
(2-methylpiperidin-1-yl)-(5-methyl-3-thiophen-2-yl-4H-1,2-oxazol-5-yl)methanone
CID 102551898
3-(4-fluorophenyl)-5-methyl-N-(1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 102551800
1-benzyl-N-[2-(dimethylamino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide
CID 9480877
N,N-dimethyl-2-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 7981720

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide (CID 100815760) is (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is CN(C)C(=O)CNC(=O)[C@]1(C)CC(c2cccs2)=NO1.
What is the InChIKey of (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is TVPOLJVNRAIECS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H17N3O3S/c1-13(12(18)14-8-11(17)16(2)3)7-9(15-19-13)10-5-4-6-20-10/h4-6H,7-8H2,1-3H3,(H,14,18)/t13-/m0/s1.
What are the key properties of (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide?
(5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 295.36 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[2-(dimethylamino)-2-oxoethyl]-5-methyl-3-thiophen-2-yl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 100815760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).