3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

C12H14N2O2S — CID 17173767

IUPAC3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1cccs1
InChIInChI=1S/C12H14N2O2S/c1-3-10-11(8(2)16-14-10)12(15)13-7-9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeyIVVPADXQTCSZDL-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.54
Rot. Bonds4

About 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 17173767) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID17173767
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)NCc1cccs1
InChIInChI=1S/C12H14N2O2S/c1-3-10-11(8(2)16-14-10)12(15)13-7-9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeyIVVPADXQTCSZDL-UHFFFAOYSA-N
XLogP2.54
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-5-methyl-N-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 33313345
3-ethyl-5-methyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)-1,2-oxazole-4-carboxamide
CID 24980783
3-methyl-5-pyridin-4-yl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide
CID 46093867
N-(2,6-diethylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 17173863
N,N'-bis(thiophen-2-ylmethyl)oxamide
CID 6421749
2,3-diethyl-N-(thiophen-2-ylmethyl)quinoxaline-6-carboxamide
CID 22588071
3-ethyl-5-methyl-N-(2H-pyrazolo[3,4-b]pyridin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 138381918
3-ethyl-5-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-1,2-oxazole-4-carboxamide
CID 51096940
6-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 110128983
N-[2-(cyclopropanecarbonylamino)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 31364787
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
3-ethyl-N-[(4-imidazol-1-ylphenyl)methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 51094478

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 17173767) is 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)NCc1cccs1.
What is the InChIKey of 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is IVVPADXQTCSZDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-10-11(8(2)16-14-10)12(15)13-7-9-5-4-6-17-9/h4-6H,3,7H2,1-2H3,(H,13,15).
What are the key properties of 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 250.32 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-(thiophen-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 17173767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).