N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide

C15H21N3O2S — CID 39212835

IUPACN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)c1cc(C)no1)c1ccsc1
InChIInChI=1S/C15H21N3O2S/c1-4-18(5-2)13(12-6-7-21-10-12)9-16-15(19)14-8-11(3)17-20-14/h6-8,10,13H,4-5,9H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyJCMGUFLURSADOJ-CYBMUJFWSA-N
MW307.42 g/mol
LogP2.86
Rot. Bonds7

About N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 39212835) has the molecular formula C15H21N3O2S and a molecular weight of 307.42 g/mol. Its IUPAC name is N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID39212835
Molecular FormulaC15H21N3O2S
Molecular Weight307.42 g/mol
Exact Mass307.14
IUPAC NameN-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCCN(CC)[C@H](CNC(=O)c1cc(C)no1)c1ccsc1
InChIInChI=1S/C15H21N3O2S/c1-4-18(5-2)13(12-6-7-21-10-12)9-16-15(19)14-8-11(3)17-20-14/h6-8,10,13H,4-5,9H2,1-3H3,(H,16,19)/t13-/m1/s1
InChIKeyJCMGUFLURSADOJ-CYBMUJFWSA-N
XLogP2.86
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.42
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-5-propan-2-yl-1,2-oxazole-4-carboxamide
CID 39209724
5-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]pyridine-3-carboxamide
CID 39214471
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-7-methoxy-1-benzofuran-2-carboxamide
CID 78868688
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-5-methyl-1-phenylpyrazole-3-carboxamide
CID 55843155
N-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-naphthalen-2-ylacetamide
CID 55660317
N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-5-nitropyridine-3-carboxamide
CID 51941884
2-bromo-N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-4-fluorobenzamide
CID 39212841
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 51251068
4-acetyl-N-[(2R)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,5-dimethyl-1H-pyrrole-2-carboxamide
CID 39214885
2-(aminomethyl)-N-[2-(diethylamino)-2-thiophen-3-ylethyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119849775
2-chloro-N-[2-(diethylamino)-2-thiophen-3-ylethyl]quinoline-6-carboxamide
CID 55843027
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3,3,3-trifluoropropanamide
CID 94119134

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 39212835) is N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide is CCN(CC)[C@H](CNC(=O)c1cc(C)no1)c1ccsc1.
What is the InChIKey of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is JCMGUFLURSADOJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H21N3O2S/c1-4-18(5-2)13(12-6-7-21-10-12)9-16-15(19)14-8-11(3)17-20-14/h6-8,10,13H,4-5,9H2,1-3H3,(H,16,19)/t13-/m1/s1.
What are the key properties of N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 307.42 g/mol, XLogP of 2.86, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-2-(diethylamino)-2-thiophen-3-ylethyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 39212835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).