5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide

C12H14N2O2S — CID 47399039

IUPAC5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cc(C)on2)s1
InChIInChI=1S/C12H14N2O2S/c1-3-10-4-5-11(17-10)12(15)13-7-9-6-8(2)16-14-9/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeySECROTNYVYTBBN-UHFFFAOYSA-N
MW250.32 g/mol
LogP2.54
Rot. Bonds4

About 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide

5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide (PubChem CID 47399039) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
PubChem CID47399039
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide
SMILESCCc1ccc(C(=O)NCc2cc(C)on2)s1
InChIInChI=1S/C12H14N2O2S/c1-3-10-4-5-11(17-10)12(15)13-7-9-6-8(2)16-14-9/h4-6H,3,7H2,1-2H3,(H,13,15)
InChIKeySECROTNYVYTBBN-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

2-[[(5-ethylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324276
3,5-dihydroxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 104938925
2,5-dichloro-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47728420
2-hydroxy-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47398917
5-bromo-N-[(5-methyl-1,2-oxazol-3-yl)methyl]furan-2-carboxamide
CID 47398777
3,4-diethoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 47900987
5-ethyl-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 47114692
4-[[(5-ethylthiophene-2-carbonyl)amino]methyl]benzoic acid
CID 43358625
N-[(3-aminophenyl)methyl]-5-ethylthiophene-2-carboxamide
CID 55083965
3-bromo-4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 79466321
4-(ethylamino)-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-2-carboxamide
CID 62180134
2-amino-N-[(5-methyl-1,2-oxazol-3-yl)methyl]pyridine-4-carboxamide
CID 55041801

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide (CID 47399039) is 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide is CCc1ccc(C(=O)NCc2cc(C)on2)s1.
What is the InChIKey of 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide?
The InChIKey is SECROTNYVYTBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-3-10-4-5-11(17-10)12(15)13-7-9-6-8(2)16-14-9/h4-6H,3,7H2,1-2H3,(H,13,15).
What are the key properties of 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide?
5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-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 5-ethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 47399039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).