3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide

C23H25N3O4S — CID 16559104

IUPAC3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C23H25N3O4S/c1-4-17-19(15(3)30-25-17)21(27)24-22-18(23(28)26-10-12-29-13-11-26)14(2)20(31-22)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3,(H,24,27)
InChIKeyCILPYJSKSHYCAY-UHFFFAOYSA-N
MW439.54 g/mol
LogP4.31
Rot. Bonds5

About 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide

3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide (PubChem CID 16559104) has the molecular formula C23H25N3O4S and a molecular weight of 439.54 g/mol. Its IUPAC name is 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
PubChem CID16559104
Molecular FormulaC23H25N3O4S
Molecular Weight439.54 g/mol
Exact Mass439.16
IUPAC Name3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1
InChIInChI=1S/C23H25N3O4S/c1-4-17-19(15(3)30-25-17)21(27)24-22-18(23(28)26-10-12-29-13-11-26)14(2)20(31-22)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3,(H,24,27)
InChIKeyCILPYJSKSHYCAY-UHFFFAOYSA-N
XLogP4.31
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.54
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 55447838
ethyl N-[4-[[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]carbamoyl]phenyl]carbamate
CID 16566650
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-thiophen-2-yl-1,3-thiazole-4-carboxamide
CID 16564184
4-(difluoromethylsulfanyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]benzamide
CID 24617829
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 33170746
(2E,4E)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]hexa-2,4-dienamide
CID 18282194
2-(2,6-dimethylphenoxy)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]acetamide
CID 26071737
3-(methoxymethyl)-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1-benzofuran-2-carboxamide
CID 31287590
N-[4-methyl-5-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]oxane-4-carboxamide
CID 30972009
N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 24600510
2-chloro-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-4-nitrobenzamide
CID 26071848
N-[4,5-dimethyl-3-(morpholine-4-carbonyl)thiophen-2-yl]benzamide
CID 833851

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide?
The IUPAC name of 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide (CID 16559104) is 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1.
What is the InChIKey of 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide?
The InChIKey is CILPYJSKSHYCAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O4S/c1-4-17-19(15(3)30-25-17)21(27)24-22-18(23(28)26-10-12-29-13-11-26)14(2)20(31-22)16-8-6-5-7-9-16/h5-9H,4,10-13H2,1-3H3,(H,24,27).
What are the key properties of 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide?
3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide has a molecular weight of 439.54 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-N-[4-methyl-3-(morpholine-4-carbonyl)-5-phenylthiophen-2-yl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 16559104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).